| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.4 | Very low | 40.4 | Very low | 213 Ų | 213 | 162.9 Ų | 162.9 | 100% | 1.049 | 81% | 0.814 | S | S | * | * | 0 | 115.3 | 0 | -63.8 | 178.3 | -141.8 | 0 | 0 | 106.7 | F3 | M1-F3 HydrophobicContact CB-CE2 3.86Å; M1-F3 HydrophobicContact CB-CZ 3.84Å; M1-F3 HydrophobicContact SD-CZ 4.26Å | |||
| 2 | Q | 36.1 | Very low | 40.9 | Very low | 200 Ų | 200 | 155.4 Ų | 155.4 | 94% | 0.935 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 124.9 | 173.7 | -76.9 | 169.8 | -3.3 | 0 | 0 | 106.6 | ||
| 3 | F | 38.2 | Very low | 41.9 | Very low | 170 Ų | 170 | 160.7 Ų | 160.7 | 75% | 0.746 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 122.8 | 175.9 | -58.7 | -83 | 0 | 0 | 0 | 107.7 | M1 | M1-F3 HydrophobicContact CB-CE2 3.86Å; M1-F3 HydrophobicContact CB-CZ 3.84Å; M1-F3 HydrophobicContact SD-CZ 4.26Å |
| 4 | L | 37.6 | Very low | 42.7 | Very low | 171 Ų | 171 | 162.6 Ų | 162.6 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 117.2 | 167.9 | -155 | 90.6 | 0 | 0 | 0 | 106.3 | ||
| 5 | V | 40.3 | Very low | 43.6 | Very low | 136 Ų | 136 | 155 Ų | 155 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -97 | 118.3 | 179.2 | -179.2 | 0 | 0 | 0 | 0 | 107.6 | ||
| 6 | E | 44.2 | Very low | 44.3 | Very low | 172 Ų | 172 | 150 Ų | 150 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 120.7 | 176.5 | -154.7 | 174.5 | 159.5 | 0 | 0 | 109 | T8 | E6-T8 PolarHBondContact O-N 2.86Š|
| 7 | E | 39.8 | Very low | 45.1 | Very low | 138 Ų | 138 | 144.3 Ų | 144.3 | 65% | 0.645 | 73% | 0.733 | S | S | * | * | trans | -75.8 | 100.8 | -175.5 | -173.6 | -176.3 | 135 | 0 | 0 | 110.2 | R9 | E7-R9 HydrophobicContact CG-CG 4.23Å; E7-R9 PolarHBondContact O-N 3.45Å; E7-R9 WeakPolarHBondContact OE1-CG 3.46Å; E7-R9 IonicContact OE1-CZ 3.72Å; E7-R9 IonicContact OE1-NE 2.82Å; E7-R9 PolarHBondContact OE1-NE 2.92Å; E7-R9 IonicContact OE1-NH2 3.82Å | ||
| 8 | T | 41.1 | Very low | 45.7 | Very low | 132 Ų | 132 | 142.3 Ų | 142.3 | 81% | 0.81 | 73% | 0.731 | S | S | * | * | trans | -84.4 | 100.4 | 171.7 | -47.6 | 0 | 0 | 0 | 0 | 109 | E6 E10 | E6-T8 PolarHBondContact O-N 2.86Å; T8-E10 PolarHBondContact O-N 3.08Å | ||
| 9 | R | 39.6 | Very low | 45.6 | Very low | 215 Ų | 215 | 142.2 Ų | 142.2 | 81% | 0.811 | 73% | 0.732 | S | S | * | * | trans | -77.4 | 95 | 173.6 | -77.5 | -176 | 162.5 | -161.4 | -11.2 | 110.6 | E7 | E7-R9 HydrophobicContact CG-CG 4.23Å; E7-R9 PolarHBondContact O-N 3.45Å; E7-R9 WeakPolarHBondContact OE1-CG 3.46Å; E7-R9 IonicContact OE1-CZ 3.72Å; E7-R9 IonicContact OE1-NE 2.82Å; E7-R9 PolarHBondContact OE1-NE 2.92Å; E7-R9 IonicContact OE1-NH2 3.82Å | ||
| 10 | E | 44.5 | Very low | 46 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 125.1 | 165.7 | -163.1 | 170.8 | 131.1 | 0 | 0 | 109.4 | T8 | T8-E10 PolarHBondContact O-N 3.08Š|
| 11 | A | 43.1 | Very low | 46.5 | Very low | 81 Ų | 81 | 139.4 Ų | 139.4 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 135 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | R13 | A11-R13 PolarHBondContact O-N 2.74Š|
| 12 | P | 47.2 | Very low | 47.2 | Very low | 73 Ų | 73 | 138.2 Ų | 138.2 | 47% | 0.474 | 72% | 0.716 | S | S | . | * | P | Polyproline II helix | trans | -65 | 132.3 | -178.4 | 23.5 | -30.9 | 0 | 0 | 0 | 111.6 | Q14 | P12-Q14 PolarHBondContact O-N 3.01Š|
| 13 | R | 53 | Low | 47.9 | Very low | 224 Ų | 224 | 134 Ų | 134 | 85% | 0.845 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -68.3 | 113.6 | 176.8 | -67.7 | -167.8 | 175.5 | -160.9 | -0.5 | 110.4 | A11 | A11-R13 PolarHBondContact O-N 2.74Š|
| 14 | Q | 53.2 | Low | 48.7 | Very low | 187 Ų | 187 | 128.2 Ų | 128.2 | 87% | 0.874 | 68% | 0.68 | S | S | * | * | trans | 51.5 | 101 | 162.1 | -63.3 | 179.8 | -2.1 | 0 | 0 | 116.8 | P12 | P12-Q14 PolarHBondContact O-N 3.01Š| ||
| 15 | C | 57.1 | Low | 49.6 | Very low | 49 Ų | 49 | 125.5 Ų | 125.5 | 33% | 0.331 | 67% | 0.671 | S | S | . | * | trans | -79.4 | 139.8 | 170.3 | -49.4 | 0 | 0 | 0 | 0 | 111.4 | C24 C26 | C15-C24 HydrophobicContact CB-CB 4.28Å; C15-C26 HydrophobicContact CB-CB 4.05Å; C15-C26 WeakPolarHBondContact CB-SG 3.34Å; C15-C26 WeakPolarHBondContact SG-CB 2.92Å; C15-C26 CovalentContact SG-SG 2.03Å; C15-C26 PolarHBondContact SG-SG 2.84Å | ||
| 16 | A | 54 | Low | 50.2 | Low | 75 Ų | 75 | 122 Ų | 122 | 62% | 0.62 | 65% | 0.651 | S | S | * | * | B | Isolated β-bridge | trans | -93.5 | 126.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | P18 | A16-P18 WeakPolarHBondContact O-CD 2.98Å |
| 17 | C | 58.9 | Low | 50.4 | Low | 53 Ų | 53 | 118.2 Ų | 118.2 | 36% | 0.358 | 64% | 0.642 | S | S | . | * | trans | -121.5 | 90.3 | -175 | -45.6 | 0 | 0 | 0 | 0 | 110.3 | N19 C24 | C17-N19 VanDerWaalsContact C-N 3.29Å; C17-N19 PolarHBondContact O-N 3.36Å; C17-C24 HydrophobicContact CB-CB 4.06Å; C17-C24 WeakPolarHBondContact CB-SG 3.49Å; C17-C24 WeakPolarHBondContact SG-CB 3.03Å; C17-C24 CovalentContact SG-SG 2.02Å; C17-C24 PolarHBondContact SG-SG 1.99Å | ||
| 18 | P | 54.9 | Low | 50.8 | Low | 108 Ų | 108 | 116.7 Ų | 116.7 | 70% | 0.701 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -9.4 | -172.7 | 25.3 | -31.2 | 0 | 0 | 0 | 115.1 | A16 | A16-P18 WeakPolarHBondContact O-CD 2.98Š|
| 19 | N | 45 | Very low | 51.1 | Low | 141 Ų | 141 | 114.2 Ų | 114.2 | 75% | 0.754 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.9 | 39.7 | -179.6 | -77.6 | -34.2 | 0 | 0 | 0 | 113.1 | C17 | C17-N19 VanDerWaalsContact C-N 3.29Å; C17-N19 PolarHBondContact O-N 3.36Å |
| 20 | G | 52 | Low | 51.6 | Low | 44 Ų | 44 | 112.4 Ų | 112.4 | 45% | 0.454 | 63% | 0.633 | S | S | . | * | S | Bend | trans | 80.8 | 170.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q22 N23 | G20-Q22 PolarHBondContact O-N 2.89Å; G20-N23 PolarHBondContact O-N 2.99Å |
| 21 | E | 56.6 | Low | 51.6 | Low | 182 Ų | 182 | 110.8 Ų | 110.8 | 85% | 0.85 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -59.8 | -12.2 | -167.2 | -63.5 | -172.5 | 141.2 | 0 | 0 | 115.2 | ||
| 22 | Q | 55.1 | Low | 51.4 | Low | 187 Ų | 187 | 114.3 Ų | 114.3 | 87% | 0.874 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -84.4 | -8.5 | -176.2 | -67.3 | -71.5 | -18.5 | 0 | 0 | 114.1 | G20 | G20-Q22 PolarHBondContact O-N 2.89Š|
| 23 | N | 49.9 | Very low | 51.2 | Low | 113 Ų | 113 | 118.6 Ų | 118.6 | 60% | 0.604 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -140.2 | 47.8 | -175.8 | -142.8 | 17.5 | 0 | 0 | 0 | 113.2 | G20 | G20-N23 PolarHBondContact O-N 2.99Š|
| 24 | C | 56.3 | Low | 50.3 | Low | 48 Ų | 48 | 114.2 Ų | 114.2 | 32% | 0.324 | 65% | 0.65 | S | S | . | * | trans | -77.6 | 130.3 | 176.4 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | C15 C17 | C15-C24 HydrophobicContact CB-CB 4.28Å; C17-C24 HydrophobicContact CB-CB 4.06Å; C17-C24 WeakPolarHBondContact CB-SG 3.49Å; C17-C24 WeakPolarHBondContact SG-CB 3.03Å; C17-C24 CovalentContact SG-SG 2.02Å; C17-C24 PolarHBondContact SG-SG 1.99Å | ||
| 25 | V | 56.2 | Low | 49.7 | Very low | 114 Ų | 114 | 113.2 Ų | 113.2 | 69% | 0.691 | 65% | 0.648 | S | S | * | * | B | Isolated β-bridge | trans | -99.9 | 101 | 169.3 | -178.7 | 0 | 0 | 0 | 0 | 107.3 | ||
| 26 | C | 53.2 | Low | 48.9 | Very low | 61 Ų | 61 | 116 Ų | 116 | 41% | 0.412 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -88.3 | 129 | 173.3 | -57.1 | 0 | 0 | 0 | 0 | 109.1 | C15 S28 | C15-C26 HydrophobicContact CB-CB 4.05Å; C15-C26 WeakPolarHBondContact CB-SG 3.34Å; C15-C26 WeakPolarHBondContact SG-CB 2.92Å; C15-C26 CovalentContact SG-SG 2.03Å; C15-C26 PolarHBondContact SG-SG 2.84Å; C26-S28 PolarHBondContact O-N 3.19Å; C26-S28 VanDerWaalsContact O-N 3.17Å |
| 27 | P | 48.4 | Very low | 48.1 | Very low | 93 Ų | 93 | 117.3 Ų | 117.3 | 60% | 0.604 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -65 | 116.2 | 167.9 | 26.1 | -30.1 | 0 | 0 | 0 | 108.7 | ||
| 28 | S | 48.4 | Very low | 47.4 | Very low | 106 Ų | 106 | 120.7 Ų | 120.7 | 74% | 0.741 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 132.8 | 173.9 | -172.2 | 0 | 0 | 0 | 0 | 108.6 | C26 E30 | C26-S28 PolarHBondContact O-N 3.19Å; C26-S28 VanDerWaalsContact O-N 3.17Å; S28-E30 PolarHBondContact O-N 2.89Å |
| 29 | P | 47.2 | Very low | 46.5 | Very low | 80 Ų | 80 | 125.1 Ų | 125.1 | 52% | 0.519 | 71% | 0.706 | S | S | . | * | P | Polyproline II helix | trans | -61.6 | 127.4 | 172.2 | 24.6 | -31 | 0 | 0 | 0 | 109 | I31 | P29-I31 PolarHBondContact O-N 3.41Š|
| 30 | E | 48.9 | Very low | 46.7 | Very low | 178 Ų | 178 | 128.6 Ų | 128.6 | 83% | 0.832 | 72% | 0.715 | S | S | * | * | trans | -81.2 | 97.6 | 176.5 | -164.3 | 169.8 | -167.8 | 0 | 0 | 107.4 | S28 L32 | S28-E30 PolarHBondContact O-N 2.89Å; E30-L32 PolarHBondContact O-N 3.31Å | ||
| 31 | I | 45.5 | Very low | 45.9 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 66% | 0.662 | 73% | 0.729 | S | S | * | * | trans | -85.4 | 106.4 | 177.8 | -57.8 | 170.1 | 0 | 0 | 0 | 107.1 | P29 E33 | P29-I31 PolarHBondContact O-N 3.41Å; I31-E33 HydrophobicContact CG2-CG 4.45Å; I31-E33 PolarHBondContact O-N 3.47Å | ||
| 32 | L | 38.6 | Very low | 45.3 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 81% | 0.812 | 73% | 0.733 | S | S | * | * | trans | -80.7 | 112.4 | 174.7 | -74.1 | 163.1 | 0 | 0 | 0 | 109.6 | E30 | E30-L32 PolarHBondContact O-N 3.31Š| ||
| 33 | E | 42.7 | Very low | 44.4 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 135.3 | 174.4 | -62.6 | -176.4 | 151.7 | 0 | 0 | 111.2 | I31 I35 | I31-E33 HydrophobicContact CG2-CG 4.45Å; I31-E33 PolarHBondContact O-N 3.47Å; E33-I35 PolarHBondContact O-N 3Å |
| 34 | P | 34.5 | Very low | 44.1 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 124.8 | 178.9 | 27.5 | -30.8 | 0 | 0 | 0 | 112 | ||
| 35 | I | 40.3 | Very low | 43.3 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 120.5 | 174.6 | -42.4 | 173.8 | 0 | 0 | 0 | 109.1 | E33 A37 | E33-I35 PolarHBondContact O-N 3Å; I35-A37 PolarHBondContact O-N 3.01Å |
| 36 | S | 39.6 | Very low | 42.5 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -79 | 108.2 | 178.3 | -172.1 | 0 | 0 | 0 | 0 | 111.5 | V38 | S36-V38 PolarHBondContact O-N 3.27Š| ||
| 37 | A | 37.3 | Very low | 42 | Very low | 103 Ų | 103 | 149.8 Ų | 149.8 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -83.2 | 91.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I35 | I35-A37 PolarHBondContact O-N 3.01Š| ||
| 38 | V | 45.3 | Very low | 41.8 | Very low | 125 Ų | 125 | 152.8 Ų | 152.8 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | trans | -95.8 | 96.4 | 164.5 | -149.5 | 0 | 0 | 0 | 0 | 108.6 | S36 | S36-V38 PolarHBondContact O-N 3.27Š| ||
| 39 | K | 36.6 | Very low | 41.7 | Very low | 201 Ų | 201 | 152.8 Ų | 152.8 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -155.4 | 111.9 | 157.3 | -109.3 | 167.9 | -167.9 | -177.6 | 0 | 110.7 | V41 | K39-V41 PolarHBondContact O-N 3.46Š| ||
| 40 | K | 47.3 | Very low | 41.9 | Very low | 213 Ų | 213 | 154.1 Ų | 154.1 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | trans | -57.9 | 115.1 | 173.4 | -71 | 171.7 | 176.1 | 174.1 | 0 | 109.9 | ||||
| 41 | V | 35.5 | Very low | 42.1 | Very low | 124 Ų | 124 | 153.9 Ų | 153.9 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | -127 | 109.2 | 158.2 | -179.8 | 0 | 0 | 0 | 0 | 108 | K39 R43 | K39-V41 PolarHBondContact O-N 3.46Å; V41-R43 PolarHBondContact O-N 3.41Å | ||
| 42 | R | 44.6 | Very low | 42.6 | Very low | 251 Ų | 251 | 151 Ų | 151 | 95% | 0.947 | 78% | 0.776 | S | S | * | * | trans | -75.9 | 104.6 | 176 | -159.6 | -179.4 | -169 | -174 | 2.5 | 107.5 | ||||
| 43 | R | 36.8 | Very low | 43.7 | Very low | 234 Ų | 234 | 148.7 Ų | 148.7 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | -133.4 | 110.1 | 158.3 | -83.3 | -171.8 | -178.7 | 176.6 | 0.7 | 108.7 | V41 A45 | V41-R43 PolarHBondContact O-N 3.41Å; R43-A45 PolarHBondContact O-N 3.05Å | ||
| 44 | S | 43.2 | Very low | 44.6 | Very low | 127 Ų | 127 | 147.4 Ų | 147.4 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | trans | -66.2 | 106.1 | 171.9 | 41.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 45 | A | 39 | Very low | 46 | Very low | 88 Ų | 88 | 144.3 Ų | 144.3 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | -123.8 | 118.9 | 147.9 | 0 | 0 | 0 | 0 | 0 | 105.3 | R43 Q47 | R43-A45 PolarHBondContact O-N 3.05Å; A45-Q47 PolarHBondContact O-N 3Å | ||
| 46 | Q | 40 | Very low | 47.4 | Very low | 185 Ų | 185 | 140 Ų | 140 | 86% | 0.864 | 72% | 0.721 | S | S | * | * | trans | -58.7 | 98.4 | 179.7 | -74.4 | 167 | -48.2 | 0 | 0 | 109.5 | Q48 | Q46-Q48 VanDerWaalsContact C-N 3.27Å; Q46-Q48 PolarHBondContact O-N 3.47Å | ||
| 47 | Q | 42.4 | Very low | 48.8 | Very low | 186 Ų | 186 | 139.5 Ų | 139.5 | 87% | 0.869 | 72% | 0.718 | S | S | * | * | trans | -70.4 | 94.4 | 156.3 | -73.6 | 177.5 | -7.3 | 0 | 0 | 105.8 | A45 | A45-Q47 PolarHBondContact O-N 3Š| ||
| 48 | Q | 43.3 | Very low | 50.3 | Low | 156 Ų | 156 | 136.4 Ų | 136.4 | 73% | 0.729 | 69% | 0.69 | S | S | * | * | trans | -60.4 | 135.8 | 165.8 | -68.7 | -171.9 | 4.8 | 0 | 0 | 107.7 | Q46 L50 | Q46-Q48 VanDerWaalsContact C-N 3.27Å; Q46-Q48 PolarHBondContact O-N 3.47Å; Q48-L50 PolarHBondContact O-N 3.19Å | ||
| 49 | P | 48.3 | Very low | 51.1 | Low | 105 Ų | 105 | 136.2 Ų | 136.2 | 68% | 0.682 | 69% | 0.691 | S | S | * | * | trans | -58.8 | 132.1 | 171.2 | 24.2 | -31.4 | 0 | 0 | 0 | 108.8 | R51 | P49-R51 PolarHBondContact O-N 3.04Š| ||
| 50 | L | 50.1 | Low | 52.4 | Low | 108 Ų | 108 | 127.3 Ų | 127.3 | 57% | 0.565 | 65% | 0.654 | S | S | * | * | trans | -54.3 | 110.9 | 176.7 | -66.7 | 169.1 | 0 | 0 | 0 | 108.9 | Q48 Q119 | Q48-L50 PolarHBondContact O-N 3.19Å; L50-Q119 HydrophobicContact CD1-CG 4.3Å; L50-Q119 HydrophobicContact CD2-CG 4.35Å; L50-Q119 VanDerWaalsContact CD2-OE1 3.3Å | ||
| 51 | R | 53.8 | Low | 53.1 | Low | 174 Ų | 174 | 120.9 Ų | 120.9 | 66% | 0.657 | 63% | 0.634 | S | S | * | * | trans | -87.7 | 118.2 | 174.7 | -69.9 | -107.7 | -174.1 | 169.7 | 1 | 107.4 | P49 S53 Q54 | P49-R51 PolarHBondContact O-N 3.04Å; R51-S53 PolarHBondContact O-N 3Å; R51-Q54 WeakPolarHBondContact O-CG 3.48Å | ||
| 52 | F | 55.3 | Low | 54.1 | Low | 69 Ų | 69 | 120.4 Ų | 120.4 | 30% | 0.303 | 62% | 0.623 | S | S | . | * | G | 310 helix | trans | -71.4 | -12 | 177.3 | -67.5 | -88.7 | 0 | 0 | 0 | 113.4 | Q54 Y55 Q78 L80 | F52-Q54 PolarHBondContact O-N 2.8Å; F52-Q54 VanDerWaalsContact O-N 3.13Å; F52-Y55 PolarHBondContact O-N 2.81Å; F52-Q78 VanDerWaalsContact CB-CD 3.45Å; F52-Q78 HydrophobicContact CB-CG 4.1Å; F52-Q78 VanDerWaalsContact CB-OE1 3.26Å; F52-Q78 HydrophobicContact CD1-CB 4.38Å; F52-Q78 HydrophobicContact CD1-CG 4.09Å; F52-Q78 WeakPolarHBondContact CE1-O 3.45Å; F52-Q78 HydrophobicContact CG-CB 4.32Å; F52-Q78 HydrophobicContact CG-CG 4.06Å; F52-Q78 VanDerWaalsContact CZ-O 3.26Å; F52-Q78 WeakPolarHBondContact CZ-O 3.02Å; F52-L80 HydrophobicContact CD1-CD1 3.43Å; F52-L80 VanDerWaalsContact CD1-CD1 3.43Å; F52-L80 HydrophobicContact CE1-CD1 3.68Å |
| 53 | S | 61.5 | Low | 54.7 | Low | 106 Ų | 106 | 116 Ų | 116 | 74% | 0.741 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -65.4 | -12.9 | -177.6 | 54.1 | 0 | 0 | 0 | 0 | 115.6 | R51 | R51-S53 PolarHBondContact O-N 3Š|
| 54 | Q | 62.7 | Low | 55.7 | Low | 136 Ų | 136 | 110 Ų | 110 | 64% | 0.636 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -89.1 | -8.3 | 179.3 | 34.7 | -177.8 | 90.3 | 0 | 0 | 112.6 | R51 F52 | R51-Q54 WeakPolarHBondContact O-CG 3.48Å; F52-Q54 PolarHBondContact O-N 2.8Å; F52-Q54 VanDerWaalsContact O-N 3.13Å |
| 55 | Y | 64.3 | Low | 56.3 | Low | 68 Ų | 68 | 109 Ų | 109 | 27% | 0.267 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -106.2 | 133.5 | 179.1 | -63.9 | -82.4 | 0 | 0 | 0 | 110.7 | F52 T68 L80 | F52-Y55 PolarHBondContact O-N 2.81Å; Y55-T68 HydrophobicContact CD1-CG2 3.96Å; Y55-T68 HydrophobicContact CE1-CG2 3.97Å; Y55-L80 HydrophobicContact CD1-CD2 4.03Å; Y55-L80 HydrophobicContact CD1-CG 4.41Å; Y55-L80 HydrophobicContact CD2-CD1 3.72Å; Y55-L80 HydrophobicContact CD2-CD2 3.96Å; Y55-L80 HydrophobicContact CD2-CG 4.21Å; Y55-L80 HydrophobicContact CE1-CD2 3.74Å; Y55-L80 HydrophobicContact CE2-CD1 4.1Å; Y55-L80 HydrophobicContact CE2-CD2 3.65Å; Y55-L80 HydrophobicContact CE2-CG 4.39Å; Y55-L80 HydrophobicContact CG-CD1 4.05Å; Y55-L80 HydrophobicContact CG-CD2 4.12Å; Y55-L80 HydrophobicContact CG-CG 4.21Å |
| 56 | P | 67.8 | Low | 57.3 | Low | 73 Ų | 73 | 107.7 Ų | 107.7 | 47% | 0.474 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 151.2 | 176 | 27.7 | -33.8 | 0 | 0 | 0 | 110.6 | C69 S70 | P56-C69 CarbonylContact O-C 3.6Å; P56-C69 WeakPolarHBondContact O-CA 2.94Å; P56-C69 WeakPolarHBondContact O-CB 3.31Å; P56-S70 PolarHBondContact O-N 2.02Å |
| 57 | S | 69.4 | Low | 58.4 | Low | 97 Ų | 97 | 99.5 Ų | 99.5 | 68% | 0.678 | 54% | 0.543 | S | S | * | . | B | Isolated β-bridge | trans | -67.1 | 136.5 | 172 | -36.1 | 0 | 0 | 0 | 0 | 109.7 | S70 | S57-S70 WeakPolarHBondContact CA-O 3.45Å |
| 58 | C | 68.7 | Low | 59.8 | Low | 39 Ų | 39 | 93 Ų | 93 | 26% | 0.264 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -63.8 | 147 | 172.2 | -53 | 0 | 0 | 0 | 0 | 110.3 | C69 S70 | C58-C69 VanDerWaalsContact CA-SG 3.57Å; C58-C69 HydrophobicContact CB-CB 3.97Å; C58-C69 WeakPolarHBondContact CB-SG 3.45Å; C58-C69 WeakPolarHBondContact SG-CB 3.36Å; C58-C69 CovalentContact SG-SG 2.03Å; C58-C69 PolarHBondContact SG-SG 3.07Å; C58-S70 PolarHBondContact N-O 2.91Å; C58-S70 VanDerWaalsContact N-O 3.09Å |
| 59 | P | 62.3 | Low | 61 | Low | 121 Ų | 121 | 85.6 Ų | 85.6 | 79% | 0.786 | 48% | 0.482 | S | S | * | . | S | Bend | cis | -84.3 | 146.6 | 8 | 32 | -33.9 | 0 | 0 | 0 | 114.6 | ||
| 60 | C | 64.9 | Low | 62.2 | Low | 14 Ų | 14 | 81 Ų | 81 | 10% | 0.095 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -65 | 147.7 | 176.4 | -74.9 | 0 | 0 | 0 | 0 | 113.1 | C67 I83 | C60-C67 HydrophobicContact CB-CB 3.45Å; C60-C67 VanDerWaalsContact CB-CB 3.45Å; C60-C67 WeakPolarHBondContact CB-SG 3.39Å; C60-C67 WeakPolarHBondContact SG-CB 3.36Å; C60-C67 CovalentContact SG-SG 2.03Å; C60-C67 PolarHBondContact SG-SG 2.02Å; C60-I83 HydrophobicContact CB-CD1 4.44Å |
| 61 | P | 60.5 | Low | 63.3 | Low | 77 Ų | 77 | 78.8 Ų | 78.8 | 50% | 0.5 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 136.8 | 173 | 26.1 | -32.5 | 0 | 0 | 0 | 110.8 | N63 | P61-N63 PolarHBondContact O-N 3.44Š|
| 62 | Q | 56.5 | Low | 64.2 | Low | 114 Ų | 114 | 74.7 Ų | 74.7 | 53% | 0.533 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -3.3 | -171.7 | -69 | -144.5 | -42.2 | 0 | 0 | 116 | C102 C104 | Q62-C102 PolarHBondContact NE2-O 2.76Å; Q62-C104 PolarHBondContact NE2-SG 3.34Å |
| 63 | N | 58.8 | Low | 64.5 | Low | 160 Ų | 160 | 74.2 Ų | 74.2 | 86% | 0.856 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 11.5 | -170 | -143.6 | 8.7 | 0 | 0 | 0 | 113.9 | P61 | P61-N63 PolarHBondContact O-N 3.44Š|
| 64 | Q | 56.8 | Low | 64.4 | Low | 108 Ų | 108 | 78.3 Ų | 78.3 | 51% | 0.505 | 44% | 0.442 | S | S | . | . | trans | -125 | 135.9 | 177.6 | -65.5 | -169.6 | 29.1 | 0 | 0 | 111.3 | A66 C85 | Q64-A66 PolarHBondContact O-N 3.41Å; Q64-C85 WeakPolarHBondContact O-CB 3.41Å | ||
| 65 | P | 55.9 | Low | 63.9 | Low | 104 Ų | 104 | 79.2 Ų | 79.2 | 68% | 0.675 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -68.7 | -22.1 | -178.1 | 27.5 | -34.4 | 0 | 0 | 0 | 113.1 | C85 | P65-C85 WeakPolarHBondContact CA-O 3.33Å; P65-C85 PolarHBondContact O-N 2.03Å |
| 66 | A | 59.3 | Low | 63.8 | Low | 62 Ų | 62 | 82 Ų | 82 | 51% | 0.512 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 139 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q64 I83 | Q64-A66 PolarHBondContact O-N 3.41Å; A66-I83 CarbonylContact C-O 3.58Å; A66-I83 WeakPolarHBondContact CA-O 2.9Å |
| 67 | C | 63.3 | Low | 63.4 | Low | 13 Ų | 13 | 84.1 Ų | 84.1 | 9% | 0.088 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 139 | 178 | 167.4 | 0 | 0 | 0 | 0 | 111.1 | C60 S82 I83 | C60-C67 HydrophobicContact CB-CB 3.45Å; C60-C67 VanDerWaalsContact CB-CB 3.45Å; C60-C67 WeakPolarHBondContact CB-SG 3.39Å; C60-C67 WeakPolarHBondContact SG-CB 3.36Å; C60-C67 CovalentContact SG-SG 2.03Å; C60-C67 PolarHBondContact SG-SG 2.02Å; C67-S82 CarbonylContact O-C 3.57Å; C67-S82 WeakPolarHBondContact O-CA 3.44Å; C67-I83 PolarHBondContact N-O 2.01Å; C67-I83 PolarHBondContact O-N 2.66Å |
| 68 | T | 71.9 | Confident | 62.9 | Low | 50 Ų | 50 | 83.9 Ų | 83.9 | 31% | 0.307 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 120.8 | 172.8 | -56 | 0 | 0 | 0 | 0 | 109.5 | Y55 L80 V81 S82 | Y55-T68 HydrophobicContact CD1-CG2 3.96Å; Y55-T68 HydrophobicContact CE1-CG2 3.97Å; T68-L80 HydrophobicContact CG2-CB 4.34Å; T68-L80 HydrophobicContact CG2-CD2 3.55Å; T68-L80 HydrophobicContact CG2-CG 3.83Å; T68-V81 CarbonylContact C-O 3.59Å; T68-V81 WeakPolarHBondContact CA-O 3.48Å; T68-S82 PolarHBondContact OG1-OG 2.84Å |
| 69 | C | 68.9 | Low | 62.4 | Low | 0 Ų | 0 | 84.8 Ų | 84.8 | 0% | 0 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 161.6 | -179.9 | 59.4 | 0 | 0 | 0 | 0 | 111.5 | P56 C58 L80 V81 | P56-C69 CarbonylContact O-C 3.6Å; P56-C69 WeakPolarHBondContact O-CA 2.94Å; P56-C69 WeakPolarHBondContact O-CB 3.31Å; C58-C69 VanDerWaalsContact CA-SG 3.57Å; C58-C69 HydrophobicContact CB-CB 3.97Å; C58-C69 WeakPolarHBondContact CB-SG 3.45Å; C58-C69 WeakPolarHBondContact SG-CB 3.36Å; C58-C69 CovalentContact SG-SG 2.03Å; C58-C69 PolarHBondContact SG-SG 3.07Å; C69-L80 CarbonylContact O-C 3.58Å; C69-L80 WeakPolarHBondContact O-CA 3.06Å; C69-V81 PolarHBondContact N-O 3.32Å; C69-V81 PolarHBondContact O-N 2.92Å |
| 70 | S | 74.3 | Confident | 62.4 | Low | 8 Ų | 8 | 81.1 Ų | 81.1 | 6% | 0.056 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 139.8 | 174.1 | 65.8 | 0 | 0 | 0 | 0 | 111.5 | P56 S57 C58 I79 | P56-S70 PolarHBondContact O-N 2.02Å; S57-S70 WeakPolarHBondContact CA-O 3.45Å; C58-S70 PolarHBondContact N-O 2.91Å; C58-S70 VanDerWaalsContact N-O 3.09Å; S70-I79 CarbonylContact C-O 3.49Å; S70-I79 VanDerWaalsContact CA-O 3.28Å; S70-I79 WeakPolarHBondContact CA-O 2.96Å |
| 71 | T | 71.9 | Confident | 62.1 | Low | 61 Ų | 61 | 82.6 Ų | 82.6 | 37% | 0.374 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 165.1 | 173.4 | -167.2 | 0 | 0 | 0 | 0 | 110 | I79 V81 | T71-I79 HydrophobicContact CG2-CD1 4.11Å; T71-I79 HydrophobicContact CG2-CG1 3.87Å; T71-I79 PolarHBondContact N-O 3.29Å; T71-I79 VanDerWaalsContact O-CG1 3.23Å; T71-I79 WeakPolarHBondContact O-CG1 2.97Å; T71-I79 PolarHBondContact O-N 3.15Å; T71-V81 HydrophobicContact CG2-CG2 3.57Å |
| 72 | N | 73.1 | Confident | 62.2 | Low | 88 Ų | 88 | 82.2 Ų | 82.2 | 47% | 0.471 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 134.8 | 174.7 | -68.5 | -29.7 | 0 | 0 | 0 | 110.6 | E77 Q78 | N72-E77 CarbonylContact C-O 3.54Å; N72-E77 WeakPolarHBondContact CA-O 3.26Å; N72-Q78 WeakPolarHBondContact OD1-CA 3.36Å |
| 73 | N | 61 | Low | 62.5 | Low | 59 Ų | 59 | 77.8 Ų | 77.8 | 32% | 0.316 | 42% | 0.42 | S | S | . | . | trans | -74.6 | 174.6 | 171.1 | -158 | -63.7 | 0 | 0 | 0 | 110.7 | Q75 N76 E77 I79 | N73-Q75 PolarHBondContact O-N 3.36Å; N73-Q75 VanDerWaalsContact O-N 3.13Å; N73-N76 WeakPolarHBondContact O-CA 3.33Å; N73-N76 PolarHBondContact O-N 2.94Å; N73-E77 PolarHBondContact N-O 2.89Å; N73-I79 HydrophobicContact CB-CD1 4.13Å; N73-I79 HydrophobicContact CB-CG1 4.42Å; N73-I79 HydrophobicContact CB-CG2 4.29Å | ||
| 74 | Q | 59.3 | Low | 62.4 | Low | 193 Ų | 193 | 74.6 Ų | 74.6 | 90% | 0.902 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19.8 | 176.7 | -62.5 | -155.7 | 4.1 | 0 | 0 | 114 | N76 | Q74-N76 VanDerWaalsContact C-N 3.29Š|
| 75 | Q | 51.9 | Low | 62.2 | Low | 154 Ų | 154 | 70 Ų | 70 | 72% | 0.72 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 10 | 172.8 | -66.1 | 175 | -54.1 | 0 | 0 | 113.1 | N73 E77 | N73-Q75 PolarHBondContact O-N 3.36Å; N73-Q75 VanDerWaalsContact O-N 3.13Å; Q75-E77 PolarHBondContact O-N 3.2Å |
| 76 | N | 63.4 | Low | 61.7 | Low | 126 Ų | 126 | 68.8 Ų | 68.8 | 67% | 0.674 | 38% | 0.383 | S | S | * | . | S | Bend | trans | 62.2 | 23.4 | -178.7 | -151.3 | 37.6 | 0 | 0 | 0 | 114.9 | N73 Q74 | N73-N76 WeakPolarHBondContact O-CA 3.33Å; N73-N76 PolarHBondContact O-N 2.94Å; Q74-N76 VanDerWaalsContact C-N 3.29Å |
| 77 | E | 59.4 | Low | 61.1 | Low | 119 Ų | 119 | 75 Ų | 75 | 56% | 0.556 | 40% | 0.401 | S | S | * | . | trans | -89.8 | 135.4 | 173.4 | -74.6 | 175.9 | 87.7 | 0 | 0 | 111 | N72 N73 Q75 I79 | N72-E77 CarbonylContact C-O 3.54Å; N72-E77 WeakPolarHBondContact CA-O 3.26Å; N73-E77 PolarHBondContact N-O 2.89Å; Q75-E77 PolarHBondContact O-N 3.2Å; E77-I79 PolarHBondContact O-N 3.42Å | ||
| 78 | Q | 57.8 | Low | 60 | Low | 91 Ų | 91 | 83.4 Ų | 83.4 | 43% | 0.425 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 115.5 | 179.8 | -156.3 | 172.7 | 18.4 | 0 | 0 | 109.5 | F52 N72 | F52-Q78 VanDerWaalsContact CB-CD 3.45Å; F52-Q78 HydrophobicContact CB-CG 4.1Å; F52-Q78 VanDerWaalsContact CB-OE1 3.26Å; F52-Q78 HydrophobicContact CD1-CB 4.38Å; F52-Q78 HydrophobicContact CD1-CG 4.09Å; F52-Q78 WeakPolarHBondContact CE1-O 3.45Å; F52-Q78 HydrophobicContact CG-CB 4.32Å; F52-Q78 HydrophobicContact CG-CG 4.06Å; F52-Q78 VanDerWaalsContact CZ-O 3.26Å; F52-Q78 WeakPolarHBondContact CZ-O 3.02Å; N72-Q78 WeakPolarHBondContact OD1-CA 3.36Å |
| 79 | I | 58.4 | Low | 58.4 | Low | 59 Ų | 59 | 89 Ų | 89 | 30% | 0.303 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 152.6 | -178 | 59.5 | 162.4 | 0 | 0 | 0 | 110.7 | S70 T71 N73 E77 V81 | S70-I79 CarbonylContact C-O 3.49Å; S70-I79 VanDerWaalsContact CA-O 3.28Å; S70-I79 WeakPolarHBondContact CA-O 2.96Å; T71-I79 HydrophobicContact CG2-CD1 4.11Å; T71-I79 HydrophobicContact CG2-CG1 3.87Å; T71-I79 PolarHBondContact N-O 3.29Å; T71-I79 VanDerWaalsContact O-CG1 3.23Å; T71-I79 WeakPolarHBondContact O-CG1 2.97Å; T71-I79 PolarHBondContact O-N 3.15Å; N73-I79 HydrophobicContact CB-CD1 4.13Å; N73-I79 HydrophobicContact CB-CG1 4.42Å; N73-I79 HydrophobicContact CB-CG2 4.29Å; E77-I79 PolarHBondContact O-N 3.42Å; I79-V81 HydrophobicContact CD1-CG2 4.12Å; I79-V81 HydrophobicContact CG1-CG2 4.37Å |
| 80 | L | 62.3 | Low | 57 | Low | 43 Ų | 43 | 98.5 Ų | 98.5 | 23% | 0.225 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 137.4 | 169.7 | -107.2 | 69.4 | 0 | 0 | 0 | 110.4 | F52 Y55 T68 C69 | F52-L80 HydrophobicContact CD1-CD1 3.43Å; F52-L80 VanDerWaalsContact CD1-CD1 3.43Å; F52-L80 HydrophobicContact CE1-CD1 3.68Å; Y55-L80 HydrophobicContact CD1-CD2 4.03Å; Y55-L80 HydrophobicContact CD1-CG 4.41Å; Y55-L80 HydrophobicContact CD2-CD1 3.72Å; Y55-L80 HydrophobicContact CD2-CD2 3.96Å; Y55-L80 HydrophobicContact CD2-CG 4.21Å; Y55-L80 HydrophobicContact CE1-CD2 3.74Å; Y55-L80 HydrophobicContact CE2-CD1 4.1Å; Y55-L80 HydrophobicContact CE2-CD2 3.65Å; Y55-L80 HydrophobicContact CE2-CG 4.39Å; Y55-L80 HydrophobicContact CG-CD1 4.05Å; Y55-L80 HydrophobicContact CG-CD2 4.12Å; Y55-L80 HydrophobicContact CG-CG 4.21Å; T68-L80 HydrophobicContact CG2-CB 4.34Å; T68-L80 HydrophobicContact CG2-CD2 3.55Å; T68-L80 HydrophobicContact CG2-CG 3.83Å; C69-L80 CarbonylContact O-C 3.58Å; C69-L80 WeakPolarHBondContact O-CA 3.06Å |
| 81 | V | 60.3 | Low | 54.9 | Low | 46 Ų | 46 | 103.9 Ų | 103.9 | 28% | 0.279 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 125.6 | 177.8 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | T68 C69 T71 I79 I83 | T68-V81 CarbonylContact C-O 3.59Å; T68-V81 WeakPolarHBondContact CA-O 3.48Å; C69-V81 PolarHBondContact N-O 3.32Å; C69-V81 PolarHBondContact O-N 2.92Å; T71-V81 HydrophobicContact CG2-CG2 3.57Å; I79-V81 HydrophobicContact CD1-CG2 4.12Å; I79-V81 HydrophobicContact CG1-CG2 4.37Å; V81-I83 HydrophobicContact CG1-CG1 4.06Å |
| 82 | S | 61.1 | Low | 53.3 | Low | 68 Ų | 68 | 107 Ų | 107 | 48% | 0.476 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.8 | 117.5 | 172 | -65.1 | 0 | 0 | 0 | 0 | 109.3 | C67 T68 | C67-S82 CarbonylContact O-C 3.57Å; C67-S82 WeakPolarHBondContact O-CA 3.44Å; T68-S82 PolarHBondContact OG1-OG 2.84Å |
| 83 | I | 62.6 | Low | 51.6 | Low | 22 Ų | 22 | 108 Ų | 108 | 11% | 0.113 | 57% | 0.568 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.2 | -179.8 | -53.3 | 179.2 | 0 | 0 | 0 | 108.1 | C60 A66 C67 V81 | C60-I83 HydrophobicContact CB-CD1 4.44Å; A66-I83 CarbonylContact C-O 3.58Å; A66-I83 WeakPolarHBondContact CA-O 2.9Å; C67-I83 PolarHBondContact N-O 2.01Å; C67-I83 PolarHBondContact O-N 2.66Å; V81-I83 HydrophobicContact CG1-CG1 4.06Å |
| 84 | S | 57.8 | Low | 50.6 | Low | 92 Ų | 92 | 113.9 Ų | 113.9 | 64% | 0.643 | 59% | 0.594 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.2 | 130.1 | 170.7 | -48.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 85 | C | 51.9 | Low | 49.2 | Very low | 11 Ų | 11 | 109.3 Ų | 109.3 | 7% | 0.074 | 59% | 0.589 | C | S | . | * | trans | -121.7 | 108.8 | -179.6 | -59.8 | 0 | 0 | 0 | 0 | 109.3 | Q64 P65 C104 | Q64-C85 WeakPolarHBondContact O-CB 3.41Å; P65-C85 WeakPolarHBondContact CA-O 3.33Å; P65-C85 PolarHBondContact O-N 2.03Å; C85-C104 PolarHBondContact SG-SG 2.7Å | ||
| 86 | C | 46.3 | Very low | 48.6 | Very low | 79 Ų | 79 | 107.6 Ų | 107.6 | 53% | 0.534 | 59% | 0.591 | S | S | . | * | trans | 59 | 126.9 | 174.3 | -59.3 | 0 | 0 | 0 | 0 | 117.5 | C102 | C86-C102 VanDerWaalsContact SG-SG 3.68Š| ||
| 87 | Q | 45.4 | Very low | 47.5 | Very low | 192 Ų | 192 | 107.1 Ų | 107.1 | 90% | 0.897 | 59% | 0.592 | S | S | * | * | trans | -82.5 | 119.2 | 156.5 | -72.3 | -155.9 | 1.5 | 0 | 0 | 108.4 | Q89 | Q87-Q89 PolarHBondContact O-N 2.88Å; Q87-Q89 VanDerWaalsContact O-N 3.15Å | ||
| 88 | Q | 40.1 | Very low | 46.2 | Very low | 191 Ų | 191 | 110.4 Ų | 110.4 | 89% | 0.893 | 61% | 0.607 | S | S | * | * | trans | -71.2 | 106.6 | 169.6 | -72.8 | -179.7 | -25.5 | 0 | 0 | 108.3 | E90 | Q88-E90 PolarHBondContact O-N 2.97Š| ||
| 89 | Q | 39.3 | Very low | 45.1 | Very low | 168 Ų | 168 | 114.4 Ų | 114.4 | 79% | 0.785 | 63% | 0.629 | S | S | * | * | trans | -71.2 | 112.5 | 164.5 | -77.2 | 175.6 | -31.9 | 0 | 0 | 108.1 | Q87 T91 | Q87-Q89 PolarHBondContact O-N 2.88Å; Q87-Q89 VanDerWaalsContact O-N 3.15Å; Q89-T91 PolarHBondContact O-N 2.83Å; Q89-T91 PolarHBondContact O-OG1 3.24Å | ||
| 90 | E | 38.6 | Very low | 44.3 | Very low | 199 Ų | 199 | 119.8 Ų | 119.8 | 93% | 0.93 | 65% | 0.652 | S | S | * | * | trans | -62.4 | 100 | 163.1 | -71.3 | -175.2 | 131.4 | 0 | 0 | 108.2 | Q88 | Q88-E90 PolarHBondContact O-N 2.97Š| ||
| 91 | T | 31.6 | Very low | 43.2 | Very low | 120 Ų | 120 | 122.7 Ų | 122.7 | 74% | 0.736 | 67% | 0.674 | S | S | * | * | trans | -118.7 | 121.2 | 171.5 | -27.9 | 0 | 0 | 0 | 0 | 109.1 | Q89 | Q89-T91 PolarHBondContact O-N 2.83Å; Q89-T91 PolarHBondContact O-OG1 3.24Å | ||
| 92 | T | 37.5 | Very low | 42.3 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | trans | -71.7 | 136.7 | -179.5 | -19.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 93 | T | 38.8 | Very low | 41.4 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 66% | 0.656 | 70% | 0.695 | S | S | * | * | trans | 82.8 | 106.2 | 153.1 | -17.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 94 | Q | 39.2 | Very low | 40.3 | Very low | 184 Ų | 184 | 129.3 Ų | 129.3 | 86% | 0.86 | 70% | 0.704 | S | S | * | * | trans | 67.2 | 129.2 | 139.9 | -67.3 | 173.1 | 17.9 | 0 | 0 | 122.8 | ||||
| 95 | A | 30.5 | Very low | 39.7 | Very low | 97 Ų | 97 | 129.6 Ų | 129.6 | 80% | 0.802 | 70% | 0.702 | S | S | * | * | trans | 97.5 | 148.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 96 | P | 38.8 | Very low | 39.3 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 77% | 0.766 | 73% | 0.729 | S | S | * | * | trans | -96 | 133.1 | -143.6 | 35.6 | -32.7 | 0 | 0 | 0 | 116.5 | ||||
| 97 | V | 39.8 | Very low | 39.3 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 70% | 0.697 | 74% | 0.735 | S | S | * | * | trans | 42.3 | 111.9 | 139.1 | -160.9 | 0 | 0 | 0 | 0 | 120.2 | M99 | V97-M99 HydrophobicContact CG1-CB 4.39Å; V97-M99 HydrophobicContact CG1-CG 3.64Å | ||
| 98 | Q | 33.1 | Very low | 39.1 | Very low | 188 Ų | 188 | 133.9 Ų | 133.9 | 88% | 0.879 | 73% | 0.73 | S | S | * | * | -118.9 | 110.4 | 127.4 | -85 | -165.3 | -42.3 | 0 | 0 | 108.8 | Q100 | Q98-Q100 PolarHBondContact O-N 2.03Š| |||
| 99 | M | 34 | Very low | 39.3 | Very low | 176 Ų | 176 | 131 Ų | 131 | 87% | 0.867 | 72% | 0.719 | S | S | * | * | trans | -67.2 | 98.5 | 172 | -74.2 | 173.1 | 83.4 | 0 | 0 | 108.7 | V97 | V97-M99 HydrophobicContact CG1-CB 4.39Å; V97-M99 HydrophobicContact CG1-CG 3.64Å | ||
| 100 | Q | 41.6 | Very low | 39.4 | Very low | 171 Ų | 171 | 129 Ų | 129 | 80% | 0.799 | 71% | 0.709 | S | S | * | * | trans | -80 | 129.6 | 158.4 | -82.3 | 165.9 | -42.4 | 0 | 0 | 108.2 | Q98 C102 | Q98-Q100 PolarHBondContact O-N 2.03Å; Q100-C102 PolarHBondContact O-N 2.99Å | ||
| 101 | P | 38.5 | Very low | 39.5 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 68% | 0.675 | 71% | 0.707 | S | S | * | * | trans | -62.7 | 128.8 | 177.5 | 24.7 | -31.5 | 0 | 0 | 0 | 109.4 | Q103 | P101-Q103 PolarHBondContact O-N 3.19Š| ||
| 102 | C | 41.6 | Very low | 40 | Very low | 62 Ų | 62 | 127.9 Ų | 127.9 | 42% | 0.419 | 70% | 0.699 | S | S | . | * | trans | -53.4 | 111.9 | 173.1 | -61.4 | 0 | 0 | 0 | 0 | 108.6 | Q62 C86 Q100 C104 | Q62-C102 PolarHBondContact NE2-O 2.76Å; C86-C102 VanDerWaalsContact SG-SG 3.68Å; Q100-C102 PolarHBondContact O-N 2.99Å; C102-C104 PolarHBondContact O-N 3.21Å | ||
| 103 | Q | 41.8 | Very low | 40.4 | Very low | 166 Ų | 166 | 123.7 Ų | 123.7 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | trans | -86 | 106.9 | 173.8 | -72.2 | -166.9 | -13.1 | 0 | 0 | 108.6 | P101 T105 | P101-Q103 PolarHBondContact O-N 3.19Å; Q103-T105 VanDerWaalsContact C-N 3.35Å; Q103-T105 PolarHBondContact O-N 3.08Å | ||
| 104 | C | 39.9 | Very low | 40.4 | Very low | 47 Ų | 47 | 125.6 Ų | 125.6 | 32% | 0.318 | 68% | 0.676 | S | S | . | * | trans | -70 | 94.1 | 168.7 | -53.8 | 0 | 0 | 0 | 0 | 107.7 | Q62 C85 C102 P106 | Q62-C104 PolarHBondContact NE2-SG 3.34Å; C85-C104 PolarHBondContact SG-SG 2.7Å; C102-C104 PolarHBondContact O-N 3.21Å; C104-P106 WeakPolarHBondContact O-CD 3.01Å | ||
| 105 | T | 46.5 | Very low | 40.7 | Very low | 98 Ų | 98 | 121.2 Ų | 121.2 | 60% | 0.601 | 66% | 0.662 | S | S | * | * | trans | -74.7 | 120.6 | 172.7 | 45.5 | 0 | 0 | 0 | 0 | 108.4 | Q103 T107 | Q103-T105 VanDerWaalsContact C-N 3.35Å; Q103-T105 PolarHBondContact O-N 3.08Å; T105-T107 PolarHBondContact O-N 3.21Å; T105-T107 VanDerWaalsContact O-N 3.1Å | ||
| 106 | P | 43 | Very low | 41.5 | Very low | 97 Ų | 97 | 120 Ų | 120 | 63% | 0.63 | 65% | 0.645 | S | S | * | * | trans | -58.8 | 120.8 | 166.7 | 24.9 | -30.6 | 0 | 0 | 0 | 106.6 | C104 Q108 | C104-P106 WeakPolarHBondContact O-CD 3.01Å; P106-Q108 PolarHBondContact O-N 3.44Å | ||
| 107 | T | 47 | Very low | 41.7 | Very low | 109 Ų | 109 | 121.6 Ų | 121.6 | 67% | 0.669 | 65% | 0.653 | S | S | * | * | trans | -55 | 108.9 | 167.4 | -7.4 | 0 | 0 | 0 | 0 | 105.3 | T105 I109 | T105-T107 PolarHBondContact O-N 3.21Å; T105-T107 VanDerWaalsContact O-N 3.1Å; T107-I109 PolarHBondContact O-N 3.44Å; T107-I109 VanDerWaalsContact O-N 3.17Å | ||
| 108 | Q | 40 | Very low | 41.9 | Very low | 167 Ų | 167 | 121.4 Ų | 121.4 | 78% | 0.78 | 65% | 0.652 | S | S | * | * | trans | -42.9 | 127.9 | 177.4 | -77.2 | -76.9 | -26.3 | 0 | 0 | 107.4 | P106 Q110 | P106-Q108 PolarHBondContact O-N 3.44Å; Q108-Q110 VanDerWaalsContact C-N 3.27Å; Q108-Q110 PolarHBondContact O-N 3.3Å | ||
| 109 | I | 45 | Very low | 42.2 | Very low | 130 Ų | 130 | 117.6 Ų | 117.6 | 67% | 0.667 | 63% | 0.634 | S | S | * | * | trans | -52.2 | 92.2 | -176.5 | -55.4 | 163.7 | 0 | 0 | 0 | 107.4 | T107 Q111 | T107-I109 PolarHBondContact O-N 3.44Å; T107-I109 VanDerWaalsContact O-N 3.17Å; I109-Q111 PolarHBondContact O-N 2.9Å | ||
| 110 | Q | 41.7 | Very low | 42.5 | Very low | 125 Ų | 125 | 116 Ų | 116 | 58% | 0.584 | 63% | 0.625 | S | S | * | * | trans | -72 | 102.8 | 172.6 | -90.4 | -165.4 | -35.7 | 0 | 0 | 105.4 | Q108 N112 | Q108-Q110 VanDerWaalsContact C-N 3.27Å; Q108-Q110 PolarHBondContact O-N 3.3Å; Q110-N112 PolarHBondContact O-N 2.56Å | ||
| 111 | Q | 40.8 | Very low | 42.6 | Very low | 187 Ų | 187 | 113.2 Ų | 113.2 | 87% | 0.874 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 25.2 | -170.6 | -66.4 | -175.2 | -24 | 0 | 0 | 115.4 | I109 | I109-Q111 PolarHBondContact O-N 2.9Š|
| 112 | N | 41.7 | Very low | 42.5 | Very low | 109 Ų | 109 | 115.6 Ų | 115.6 | 58% | 0.583 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.3 | 17.7 | -178.9 | -137.3 | 5.4 | 0 | 0 | 0 | 115 | Q110 Q114 P124 | Q110-N112 PolarHBondContact O-N 2.56Å; N112-Q114 PolarHBondContact O-N 2.81Å; N112-P124 HydrophobicContact CB-CG 4.24Å; N112-P124 WeakPolarHBondContact O-CD 2.93Å |
| 113 | C | 44.7 | Very low | 42.7 | Very low | 40 Ų | 40 | 115.2 Ų | 115.2 | 27% | 0.27 | 61% | 0.605 | S | S | . | * | trans | -83.8 | 107.5 | 175.4 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | Q121 Y122 C123 | C113-Q121 HydrophobicContact CB-CG 4.11Å; C113-Y122 CarbonylContact C-O 3.58Å; C113-Y122 VanDerWaalsContact CA-O 3.23Å; C113-Y122 WeakPolarHBondContact CA-O 3.47Å; C113-C123 HydrophobicContact CB-CB 4.03Å; C113-C123 WeakPolarHBondContact CB-SG 3.5Å; C113-C123 WeakPolarHBondContact SG-CB 3.04Å; C113-C123 CovalentContact SG-SG 2.01Å; C113-C123 PolarHBondContact SG-SG 3.41Å | ||
| 114 | Q | 39.9 | Very low | 42.7 | Very low | 148 Ų | 148 | 110 Ų | 110 | 69% | 0.692 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.7 | 129.8 | 173.9 | -74.1 | -174.6 | -3.7 | 0 | 0 | 110.7 | N112 Y122 | N112-Q114 PolarHBondContact O-N 2.81Å; Q114-Y122 PolarHBondContact N-O 3.27Å; Q114-Y122 PolarHBondContact O-N 3.46Å |
| 115 | T | 44.5 | Very low | 42.7 | Very low | 92 Ų | 92 | 115 Ų | 115 | 56% | 0.564 | 61% | 0.605 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.5 | 116.9 | 173.8 | -51.8 | 0 | 0 | 0 | 0 | 109.1 | ||
| 116 | T | 48.7 | Very low | 42.4 | Very low | 71 Ų | 71 | 119.3 Ų | 119.3 | 44% | 0.436 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -73.5 | 154.5 | 176.7 | -18.4 | 0 | 0 | 0 | 0 | 110.1 | T118 Q119 Q120 | T116-T118 PolarHBondContact O-N 2.77Å; T116-Q119 PolarHBondContact O-N 2.66Å; T116-Q120 PolarHBondContact N-O 3.13Å; T116-Q120 PolarHBondContact OG1-O 3.03Å |
| 117 | T | 41.7 | Very low | 42.4 | Very low | 151 Ų | 151 | 120.1 Ų | 120.1 | 93% | 0.926 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -8 | -178 | 8.9 | 0 | 0 | 0 | 0 | 115.1 | ||
| 118 | T | 43.9 | Very low | 41.9 | Very low | 112 Ų | 112 | 118.7 Ų | 118.7 | 69% | 0.687 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 12.1 | 174.7 | 45.8 | 0 | 0 | 0 | 0 | 114.1 | T116 | T116-T118 PolarHBondContact O-N 2.77Š|
| 119 | Q | 40.1 | Very low | 42 | Very low | 107 Ų | 107 | 115.6 Ų | 115.6 | 50% | 0.5 | 62% | 0.62 | S | S | . | * | S | Bend | trans | 65.4 | 24.4 | -176.7 | -63.2 | -150.7 | 107.6 | 0 | 0 | 116.4 | L50 T116 | L50-Q119 HydrophobicContact CD1-CG 4.3Å; L50-Q119 HydrophobicContact CD2-CG 4.35Å; L50-Q119 VanDerWaalsContact CD2-OE1 3.3Å; T116-Q119 PolarHBondContact O-N 2.66Å |
| 120 | Q | 40.9 | Very low | 42.1 | Very low | 144 Ų | 144 | 115.3 Ų | 115.3 | 67% | 0.673 | 62% | 0.624 | S | S | * | * | trans | -96.1 | 133.5 | 167.1 | -62.1 | -144.9 | 43.6 | 0 | 0 | 110 | T116 | T116-Q120 PolarHBondContact N-O 3.13Å; T116-Q120 PolarHBondContact OG1-O 3.03Å | ||
| 121 | Q | 43.4 | Very low | 42.3 | Very low | 111 Ų | 111 | 115.3 Ų | 115.3 | 52% | 0.519 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.2 | 116.9 | -177.3 | -159.4 | 152.3 | 2.6 | 0 | 0 | 109 | C113 | C113-Q121 HydrophobicContact CB-CG 4.11Å |
| 122 | Y | 36.2 | Very low | 42.7 | Very low | 155 Ų | 155 | 113.9 Ų | 113.9 | 61% | 0.608 | 63% | 0.625 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.4 | 110.7 | -177.2 | 179.9 | -99.2 | 0 | 0 | 0 | 110.2 | C113 Q114 P124 | C113-Y122 CarbonylContact C-O 3.58Å; C113-Y122 VanDerWaalsContact CA-O 3.23Å; C113-Y122 WeakPolarHBondContact CA-O 3.47Å; Q114-Y122 PolarHBondContact N-O 3.27Å; Q114-Y122 PolarHBondContact O-N 3.46Å; Y122-P124 HydrophobicContact CE1-CB 4.22Å |
| 123 | C | 46.1 | Very low | 43.7 | Very low | 53 Ų | 53 | 111.9 Ų | 111.9 | 36% | 0.358 | 62% | 0.618 | S | S | . | * | trans | -104.9 | 117.5 | 172 | -50.8 | 0 | 0 | 0 | 0 | 108.8 | C113 Q125 | C113-C123 HydrophobicContact CB-CB 4.03Å; C113-C123 WeakPolarHBondContact CB-SG 3.5Å; C113-C123 WeakPolarHBondContact SG-CB 3.04Å; C113-C123 CovalentContact SG-SG 2.01Å; C113-C123 PolarHBondContact SG-SG 3.41Å; C123-Q125 PolarHBondContact O-N 2.9Å | ||
| 124 | P | 41.3 | Very low | 44.8 | Very low | 58 Ų | 58 | 115.1 Ų | 115.1 | 38% | 0.377 | 63% | 0.629 | S | S | . | * | trans | -72.6 | 96.6 | 173 | 29.4 | -28.9 | 0 | 0 | 0 | 107.9 | N112 Y122 Q126 | N112-P124 HydrophobicContact CB-CG 4.24Å; N112-P124 WeakPolarHBondContact O-CD 2.93Å; Y122-P124 HydrophobicContact CE1-CB 4.22Å; P124-Q126 PolarHBondContact O-N 3.49Å | ||
| 125 | Q | 39.8 | Very low | 46.5 | Very low | 151 Ų | 151 | 112.1 Ų | 112.1 | 71% | 0.706 | 62% | 0.623 | S | S | * | * | trans | -68 | 124.9 | 163.4 | -77.8 | -149.2 | -29.2 | 0 | 0 | 107.9 | C123 S127 | C123-Q125 PolarHBondContact O-N 2.9Å; Q125-S127 PolarHBondContact O-N 3.06Å; Q125-S127 VanDerWaalsContact O-N 3.09Å | ||
| 126 | Q | 40.3 | Very low | 48.1 | Very low | 189 Ų | 189 | 108 Ų | 108 | 88% | 0.883 | 60% | 0.598 | S | S | * | * | trans | -48.6 | 120.5 | 166.4 | -75.1 | 170.6 | -17.6 | 0 | 0 | 107.6 | P124 A128 | P124-Q126 PolarHBondContact O-N 3.49Å; Q126-A128 PolarHBondContact O-N 2.75Å | ||
| 127 | S | 43.7 | Very low | 49.4 | Very low | 113 Ų | 113 | 109.9 Ų | 109.9 | 79% | 0.79 | 61% | 0.611 | S | S | * | * | trans | -58.5 | 100.7 | -174.7 | 42.6 | 0 | 0 | 0 | 0 | 110.3 | Q125 | Q125-S127 PolarHBondContact O-N 3.06Å; Q125-S127 VanDerWaalsContact O-N 3.09Å | ||
| 128 | A | 35.8 | Very low | 51 | Low | 79 Ų | 79 | 107.3 Ų | 107.3 | 65% | 0.653 | 59% | 0.591 | S | S | * | * | trans | -59.4 | 135.1 | 139.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | Q126 V130 | Q126-A128 PolarHBondContact O-N 2.75Å; A128-V130 PolarHBondContact O-N 3.24Å | ||
| 129 | P | 41 | Very low | 52.4 | Low | 103 Ų | 103 | 103.5 Ų | 103.5 | 67% | 0.669 | 57% | 0.568 | S | S | * | * | trans | -50.4 | 139.7 | 174.5 | 19.1 | -28.6 | 0 | 0 | 0 | 108.8 | V131 | P129-V131 HydrophobicContact CB-CG2 4.26Å; P129-V131 HydrophobicContact CG-CG2 4.04Å; P129-V131 WeakPolarHBondContact O-CG2 3.49Å; P129-V131 PolarHBondContact O-N 3.17Å | ||
| 130 | V | 48.1 | Very low | 53.3 | Low | 123 Ų | 123 | 107.7 Ų | 107.7 | 75% | 0.745 | 59% | 0.587 | S | S | * | * | trans | -64.1 | 89.5 | 175.9 | 178.7 | 0 | 0 | 0 | 0 | 107.2 | A128 | A128-V130 PolarHBondContact O-N 3.24Š| ||
| 131 | V | 45.4 | Very low | 54.1 | Low | 126 Ų | 126 | 103 Ų | 103 | 76% | 0.764 | 58% | 0.577 | S | S | * | * | trans | -86.6 | -7.5 | -175.4 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | P129 | P129-V131 HydrophobicContact CB-CG2 4.26Å; P129-V131 HydrophobicContact CG-CG2 4.04Å; P129-V131 WeakPolarHBondContact O-CG2 3.49Å; P129-V131 PolarHBondContact O-N 3.17Å | ||
| 132 | Q | 50.3 | Low | 54.5 | Low | 156 Ų | 156 | 101.1 Ų | 101.1 | 73% | 0.729 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -150.2 | 141 | -177.8 | -140.1 | 163.9 | 13.8 | 0 | 0 | 113 | Q134 | Q132-Q134 PolarHBondContact O-N 3.42Š|
| 133 | P | 61.5 | Low | 55.8 | Low | 67 Ų | 67 | 94.3 Ų | 94.3 | 44% | 0.435 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -60.6 | 131.9 | 176.5 | 24 | -33.7 | 0 | 0 | 0 | 110.9 | M156 I157 | P133-M156 HydrophobicContact CB-CB 3.82Å; P133-M156 HydrophobicContact CB-CE 4.33Å; P133-M156 VanDerWaalsContact CB-O 3.25Å; P133-M156 WeakPolarHBondContact CB-O 3.39Å; P133-I157 HydrophobicContact CB-CG1 3.94Å; P133-I157 HydrophobicContact CG-CG1 4.47Å; P133-I157 WeakPolarHBondContact O-CD1 3.24Å |
| 134 | Q | 67.8 | Low | 57 | Low | 108 Ų | 108 | 94 Ų | 94 | 51% | 0.505 | 55% | 0.55 | S | S | . | . | P | Polyproline II helix | trans | -102 | 144 | -178 | -72.2 | -159.7 | -34 | 0 | 0 | 112.3 | Q132 F181 | Q132-Q134 PolarHBondContact O-N 3.42Å; Q134-F181 HydrophobicContact CB-CD1 3.93Å; Q134-F181 HydrophobicContact CB-CE1 3.98Å |
| 135 | P | 75.6 | Confident | 58.3 | Low | 86 Ų | 86 | 98.5 Ų | 98.5 | 56% | 0.558 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 150.8 | -179.4 | 27.7 | -32 | 0 | 0 | 0 | 111.6 | P137 I157 | P135-P137 WeakPolarHBondContact O-CD 3.48Å; P135-I157 VanDerWaalsContact CA-CD1 3.49Å; P135-I157 HydrophobicContact CB-CD1 3.76Å; P135-I157 HydrophobicContact CG-CD1 4.23Å |
| 136 | C | 79.2 | Confident | 59.9 | Low | 5 Ų | 5 | 97.5 Ų | 97.5 | 3% | 0.034 | 57% | 0.565 | C | S | . | * | P | Polyproline II helix | trans | -72.2 | 122.6 | 172.4 | 166.6 | 0 | 0 | 0 | 0 | 110 | L138 V139 S154 F181 C182 | C136-L138 PolarHBondContact O-N 3.44Å; C136-L138 VanDerWaalsContact O-N 3.16Å; C136-L138 PolarHBondContact SG-N 3.1Å; C136-V139 HydrophobicContact CB-CG2 3.69Å; C136-V139 PolarHBondContact O-N 2.93Å; C136-S154 WeakPolarHBondContact CB-OG 3.31Å; C136-S154 PolarHBondContact N-OG 2.97Å; C136-F181 WeakPolarHBondContact CB-O 3.14Å; C136-C182 HydrophobicContact CB-CB 3.86Å; C136-C182 WeakPolarHBondContact CB-SG 3.29Å; C136-C182 VanDerWaalsContact SG-CA 3.6Å; C136-C182 WeakPolarHBondContact SG-CB 3.25Å; C136-C182 CovalentContact SG-SG 2.01Å; C136-C182 PolarHBondContact SG-SG 2.93Å |
| 137 | P | 75.7 | Confident | 61.9 | Low | 110 Ų | 110 | 88.9 Ų | 88.9 | 71% | 0.714 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -10.9 | -177.9 | 28.8 | -35.5 | 0 | 0 | 0 | 113.6 | P135 | P135-P137 WeakPolarHBondContact O-CD 3.48Š|
| 138 | L | 74.8 | Confident | 64.1 | Low | 98 Ų | 98 | 89.2 Ų | 89.2 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -5.2 | 179.6 | -57.7 | 176.3 | 0 | 0 | 0 | 113.1 | C136 Q140 I152 | C136-L138 PolarHBondContact O-N 3.44Å; C136-L138 VanDerWaalsContact O-N 3.16Å; C136-L138 PolarHBondContact SG-N 3.1Å; L138-Q140 PolarHBondContact O-N 3.34Å; L138-I152 HydrophobicContact CB-CD1 4.21Å; L138-I152 HydrophobicContact CB-CG2 4.18Å |
| 139 | V | 74.1 | Confident | 66.5 | Low | 31 Ų | 31 | 90.4 Ų | 90.4 | 19% | 0.188 | 50% | 0.504 | C | S | . | . | trans | -80.1 | 105.7 | 176.9 | -171.7 | 0 | 0 | 0 | 0 | 108.3 | C136 G141 I152 | C136-V139 HydrophobicContact CB-CG2 3.69Å; C136-V139 PolarHBondContact O-N 2.93Å; V139-G141 WeakPolarHBondContact CG1-O 3.38Å; V139-G141 PolarHBondContact O-N 2.86Å; V139-G141 VanDerWaalsContact O-N 3.08Å; V139-I152 HydrophobicContact CG2-CG2 4.13Å | ||
| 140 | Q | 57.6 | Low | 68.7 | Low | 195 Ų | 195 | 89.3 Ų | 89.3 | 91% | 0.911 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -76.4 | 88.4 | 169.6 | -88.8 | 170.7 | -42.4 | 0 | 0 | 109.2 | L138 | L138-Q140 PolarHBondContact O-N 3.34Š|
| 141 | G | 57.6 | Low | 70.5 | Confident | 45 Ų | 45 | 84.6 Ų | 84.6 | 46% | 0.464 | 47% | 0.466 | S | S | . | . | S | Bend | trans | 116.6 | 169.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | V139 G143 | V139-G141 WeakPolarHBondContact CG1-O 3.38Å; V139-G141 PolarHBondContact O-N 2.86Å; V139-G141 VanDerWaalsContact O-N 3.08Å; G141-G143 PolarHBondContact O-N 3.35Å; G141-G143 VanDerWaalsContact O-N 3.11Å |
| 142 | S | 53.5 | Low | 72.4 | Confident | 72 Ų | 72 | 81.9 Ų | 81.9 | 50% | 0.503 | 45% | 0.447 | S | S | . | . | trans | -56.7 | 112.9 | 176.7 | -40.3 | 0 | 0 | 0 | 0 | 110.1 | V144 Q145 | S142-V144 PolarHBondContact O-N 2.05Å; S142-Q145 VanDerWaalsContact CB-OE1 3.29Å; S142-Q145 PolarHBondContact O-N 2.9Å; S142-Q145 PolarHBondContact OG-OE1 3.09Å; S142-Q145 VanDerWaalsContact OG-OE1 3.13Å | ||
| 143 | G | 63 | Low | 74.1 | Confident | 12 Ų | 12 | 74.5 Ų | 74.5 | 12% | 0.124 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -19.4 | -159.3 | 0 | 0 | 0 | 0 | 0 | 118 | G141 D158 W185 | G141-G143 PolarHBondContact O-N 3.35Å; G141-G143 VanDerWaalsContact O-N 3.11Å; G143-D158 WeakPolarHBondContact CA-OD2 3.02Å; G143-W185 WeakPolarHBondContact O-CZ2 3.39Å |
| 144 | V | 71.3 | Confident | 75.3 | Confident | 47 Ų | 47 | 71.5 Ų | 71.5 | 29% | 0.285 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -30.4 | 175.2 | -152.7 | 0 | 0 | 0 | 0 | 112.7 | S142 N146 A147 D158 A161 | S142-V144 PolarHBondContact O-N 2.05Å; V144-N146 PolarHBondContact O-N 3.26Å; V144-A147 WeakPolarHBondContact O-CB 3.04Å; V144-A147 PolarHBondContact O-N 3.06Å; V144-D158 HydrophobicContact CG2-CB 3.98Å; V144-D158 WeakPolarHBondContact CG2-OD1 3.24Å; V144-A161 HydrophobicContact CG1-CB 3.48Å; V144-A161 VanDerWaalsContact CG1-CB 3.48Å |
| 145 | Q | 69 | Low | 76.1 | Confident | 153 Ų | 153 | 70.8 Ų | 70.8 | 72% | 0.715 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -31.5 | -169.9 | -69.2 | -178.8 | -21.4 | 0 | 0 | 112.8 | S142 | S142-Q145 VanDerWaalsContact CB-OE1 3.29Å; S142-Q145 PolarHBondContact O-N 2.9Å; S142-Q145 PolarHBondContact OG-OE1 3.09Å; S142-Q145 VanDerWaalsContact OG-OE1 3.13Å |
| 146 | N | 73 | Confident | 76.2 | Confident | 129 Ų | 129 | 69.6 Ų | 69.6 | 69% | 0.69 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | 29.8 | 176.1 | -67.4 | -43.3 | 0 | 0 | 0 | 111.7 | V144 Q148 | V144-N146 PolarHBondContact O-N 3.26Å; N146-Q148 PolarHBondContact O-N 3.23Å |
| 147 | A | 82.4 | Confident | 76.4 | Confident | 8 Ų | 8 | 72.7 Ų | 72.7 | 7% | 0.066 | 39% | 0.389 | C | S | . | . | trans | -64.8 | 123.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V144 A161 P164 L171 W185 | V144-A147 WeakPolarHBondContact O-CB 3.04Å; V144-A147 PolarHBondContact O-N 3.06Å; A147-A161 HydrophobicContact CB-CB 3.45Å; A147-A161 VanDerWaalsContact CB-CB 3.45Å; A147-P164 WeakPolarHBondContact O-CD 3.11Å; A147-L171 HydrophobicContact CB-CD1 3.72Å; A147-W185 HydrophobicContact CB-CD2 4.29Å; A147-W185 HydrophobicContact CB-CZ2 4.01Å | ||
| 148 | Q | 88.8 | Confident | 76.8 | Confident | 121 Ų | 121 | 68.6 Ų | 68.6 | 57% | 0.565 | 36% | 0.361 | S | S | * | . | trans | -135.2 | 145.3 | 178 | -173.5 | 177.6 | -3.4 | 0 | 0 | 109.1 | N146 Q150 G151 W185 | N146-Q148 PolarHBondContact O-N 3.23Å; Q148-Q150 PolarHBondContact O-N 3.25Å; Q148-G151 WeakPolarHBondContact O-CA 3.36Å; Q148-G151 PolarHBondContact O-N 3.17Å; Q148-W185 WeakPolarHBondContact O-CB 3.19Å | ||
| 149 | Y | 87.6 | Confident | 77.1 | Confident | 104 Ų | 104 | 67.1 Ų | 67.1 | 41% | 0.408 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | 132.3 | 173.2 | 177.3 | -117.3 | 0 | 0 | 0 | 111.4 | G151 R187 | Y149-G151 PolarHBondContact O-N 3.13Å; Y149-G151 VanDerWaalsContact O-N 3.16Å; Y149-R187 HydrophobicContact CD2-CB 3.77Å; Y149-R187 HydrophobicContact CE2-CB 4.14Å |
| 150 | Q | 86.8 | Confident | 77.9 | Confident | 80 Ų | 80 | 67.2 Ų | 67.2 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | -1.3 | -173.7 | -62 | -72.5 | -21.2 | 0 | 0 | 116 | Q148 R184 W185 | Q148-Q150 PolarHBondContact O-N 3.25Å; Q150-R184 PolarHBondContact O-NH1 3.15Å; Q150-W185 PolarHBondContact N-O 3.11Å |
| 151 | G | 85.5 | Confident | 79.5 | Confident | 24 Ų | 24 | 58 Ų | 58 | 25% | 0.247 | 31% | 0.313 | C | S | . | . | trans | -64 | 162.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q148 Y149 R184 W185 | Q148-G151 WeakPolarHBondContact O-CA 3.36Å; Q148-G151 PolarHBondContact O-N 3.17Å; Y149-G151 PolarHBondContact O-N 3.13Å; Y149-G151 VanDerWaalsContact O-N 3.16Å; G151-R184 WeakPolarHBondContact O-CA 3.39Å; G151-W185 PolarHBondContact O-N 3.33Å | ||
| 152 | I | 85.1 | Confident | 81 | Confident | 69 Ų | 69 | 58.8 Ų | 58.8 | 35% | 0.354 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 140.8 | 178.1 | -56.1 | 176.2 | 0 | 0 | 0 | 109 | L138 V139 C182 | L138-I152 HydrophobicContact CB-CD1 4.21Å; L138-I152 HydrophobicContact CB-CG2 4.18Å; V139-I152 HydrophobicContact CG2-CG2 4.13Å; I152-C182 HydrophobicContact CG2-CB 4.31Å |
| 153 | C | 86.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 162.6 | 179.7 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | C173 C182 G183 R184 W185 | C153-C173 HydrophobicContact CB-CB 3.81Å; C153-C173 WeakPolarHBondContact CB-SG 3.41Å; C153-C173 WeakPolarHBondContact SG-CA 3.32Å; C153-C173 WeakPolarHBondContact SG-CB 3.42Å; C153-C173 CovalentContact SG-SG 2Å; C153-C173 PolarHBondContact SG-SG 3.26Å; C153-C182 CarbonylContact O-C 3.42Å; C153-C182 WeakPolarHBondContact O-CA 3.43Å; C153-G183 PolarHBondContact N-O 2.62Å; C153-G183 VanDerWaalsContact N-O 3.08Å; C153-G183 PolarHBondContact O-N 2.81Å; C153-R184 PolarHBondContact SG-N 2.77Å; C153-R184 VanDerWaalsContact SG-N 3.39Å; C153-W185 HydrophobicContact CB-CD2 3.65Å; C153-W185 HydrophobicContact CB-CE3 4.26Å; C153-W185 HydrophobicContact CB-CG 4.06Å; C153-W185 HydrophobicContact CB-CH2 4.12Å; C153-W185 HydrophobicContact CB-CZ2 3.48Å; C153-W185 VanDerWaalsContact CB-CZ2 3.48Å; C153-W185 HydrophobicContact CB-CZ3 4.48Å; C153-W185 PolarHBondContact SG-N 3.48Å |
| 154 | S | 87.5 | Confident | 83.9 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 4% | 0.035 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 93.9 | 174.3 | -57.3 | 0 | 0 | 0 | 0 | 109.2 | C136 M156 I157 D158 | C136-S154 WeakPolarHBondContact CB-OG 3.31Å; C136-S154 PolarHBondContact N-OG 2.97Å; S154-M156 PolarHBondContact O-N 2.95Å; S154-I157 PolarHBondContact O-N 3.47Å; S154-D158 PolarHBondContact O-N 2.85Å |
| 155 | W | 83.4 | Confident | 84.7 | Confident | 92 Ų | 92 | 64.2 Ų | 64.2 | 35% | 0.348 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -22.2 | -169 | 77.7 | -89.5 | 0 | 0 | 0 | 114.3 | C173 P175 L180 F181 | W155-C173 WeakPolarHBondContact CA-SG 3.06Å; W155-C173 HydrophobicContact CB-CB 4.3Å; W155-C173 WeakPolarHBondContact CB-SG 3.21Å; W155-C173 PolarHBondContact N-SG 3.41Å; W155-C173 VanDerWaalsContact N-SG 3.39Å; W155-P175 HydrophobicContact CB-CG 4.44Å; W155-P175 HydrophobicContact CD2-CB 4.11Å; W155-P175 HydrophobicContact CD2-CG 3.76Å; W155-P175 HydrophobicContact CE3-CG 3.83Å; W155-P175 HydrophobicContact CG-CB 4.11Å; W155-P175 HydrophobicContact CG-CG 4.03Å; W155-P175 HydrophobicContact CZ3-CG 4.39Å; W155-L180 PolarHBondContact NE1-O 2.9Å; W155-F181 VanDerWaalsContact CD1-C 3.47Å; W155-F181 PolarHBondContact N-O 2.81Å |
| 156 | M | 78.8 | Confident | 85.6 | Confident | 62 Ų | 62 | 58.4 Ų | 58.4 | 31% | 0.305 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -17.7 | 177.1 | -62.9 | -174.8 | 71 | 0 | 0 | 114.1 | P133 S154 F181 | P133-M156 HydrophobicContact CB-CB 3.82Å; P133-M156 HydrophobicContact CB-CE 4.33Å; P133-M156 VanDerWaalsContact CB-O 3.25Å; P133-M156 WeakPolarHBondContact CB-O 3.39Å; S154-M156 PolarHBondContact O-N 2.95Å; M156-F181 HydrophobicContact SD-CD1 3.99Å; M156-F181 HydrophobicContact SD-CE1 4.39Å |
| 157 | I | 82.3 | Confident | 86.2 | Confident | 69 Ų | 69 | 61.2 Ų | 61.2 | 35% | 0.354 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | -39 | -173.5 | -61.3 | -170.6 | 0 | 0 | 0 | 111.8 | P133 P135 S154 P159 | P133-I157 HydrophobicContact CB-CG1 3.94Å; P133-I157 HydrophobicContact CG-CG1 4.47Å; P133-I157 WeakPolarHBondContact O-CD1 3.24Å; P135-I157 VanDerWaalsContact CA-CD1 3.49Å; P135-I157 HydrophobicContact CB-CD1 3.76Å; P135-I157 HydrophobicContact CG-CD1 4.23Å; S154-I157 PolarHBondContact O-N 3.47Å; I157-P159 VanDerWaalsContact C-CD 3.41Å; I157-P159 WeakPolarHBondContact O-CD 3.13Å |
| 158 | D | 83.5 | Confident | 86.4 | Confident | 24 Ų | 24 | 64.1 Ų | 64.1 | 13% | 0.128 | 32% | 0.323 | C | S | . | . | trans | -116.5 | 73.8 | -175.1 | -57.2 | -44.4 | 0 | 0 | 0 | 109.1 | G143 V144 S154 C173 W185 | G143-D158 WeakPolarHBondContact CA-OD2 3.02Å; V144-D158 HydrophobicContact CG2-CB 3.98Å; V144-D158 WeakPolarHBondContact CG2-OD1 3.24Å; S154-D158 PolarHBondContact O-N 2.85Å; D158-C173 WeakPolarHBondContact O-CB 3.22Å; D158-W185 HydrophobicContact CB-CH2 3.92Å; D158-W185 HydrophobicContact CB-CZ2 4.1Å; D158-W185 WeakPolarHBondContact O-CH2 3.11Å | ||
| 159 | P | 82.2 | Confident | 86.6 | Confident | 68 Ų | 68 | 61 Ų | 61 | 44% | 0.442 | 31% | 0.309 | S | S | . | . | trans | -70.7 | -33 | -174.9 | 27.8 | -34.7 | 0 | 0 | 0 | 112.4 | I157 Q172 C173 | I157-P159 VanDerWaalsContact C-CD 3.41Å; I157-P159 WeakPolarHBondContact O-CD 3.13Å; P159-Q172 WeakPolarHBondContact O-CA 3.49Å; P159-C173 PolarHBondContact O-N 3.35Å | ||
| 160 | L | 91 | Very high | 86.8 | Confident | 33 Ų | 33 | 58.2 Ų | 58.2 | 17% | 0.173 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 150.6 | -179.1 | -49.7 | 166.3 | 0 | 0 | 0 | 111.7 | Y170 L171 Q172 F196 Q201 | L160-Y170 HydrophobicContact CD2-CD2 3.74Å; L160-Y170 HydrophobicContact CD2-CE2 3.57Å; L160-L171 CarbonylContact C-O 3.35Å; L160-L171 WeakPolarHBondContact CA-O 3.39Å; L160-Q172 HydrophobicContact CD2-CB 3.9Å; L160-Q172 HydrophobicContact CD2-CG 3.85Å; L160-F196 HydrophobicContact CB-CE2 4.45Å; L160-F196 HydrophobicContact CB-CZ 3.84Å; L160-F196 HydrophobicContact CD1-CE2 4.27Å; L160-F196 HydrophobicContact CD1-CZ 4.33Å; L160-Q201 HydrophobicContact CD1-CB 4.32Å; L160-Q201 WeakPolarHBondContact CD1-O 3.35Å |
| 161 | A | 90.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 158.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | V144 A147 L171 W185 | V144-A161 HydrophobicContact CG1-CB 3.48Å; V144-A161 VanDerWaalsContact CG1-CB 3.48Å; A147-A161 HydrophobicContact CB-CB 3.45Å; A147-A161 VanDerWaalsContact CB-CB 3.45Å; A161-L171 HydrophobicContact CB-CB 4.2Å; A161-L171 PolarHBondContact N-O 2.81Å; A161-L171 PolarHBondContact O-N 2.81Å; A161-W185 HydrophobicContact CB-CE3 4.47Å; A161-W185 HydrophobicContact CB-CH2 3.65Å; A161-W185 HydrophobicContact CB-CZ2 3.93Å; A161-W185 HydrophobicContact CB-CZ3 3.93Å |
| 162 | T | 89.7 | Confident | 87.5 | Confident | 62 Ų | 62 | 56.5 Ų | 56.5 | 38% | 0.38 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 140.3 | 169 | 37.5 | 0 | 0 | 0 | 0 | 111 | P164 F196 V198 | T162-P164 WeakPolarHBondContact O-CD 3.35Å; T162-F196 HydrophobicContact CG2-CD1 3.78Å; T162-F196 HydrophobicContact CG2-CE1 4.23Å; T162-V198 HydrophobicContact CG2-CB 3.82Å; T162-V198 HydrophobicContact CG2-CG2 4.3Å |
| 163 | D | 90 | Very high | 87.7 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 6% | 0.059 | 27% | 0.27 | C | S | . | . | trans | -85.8 | 117.4 | 171.7 | 174.7 | 14.1 | 0 | 0 | 0 | 110.6 | Q165 S166 H169 L171 R187 | D163-Q165 PolarHBondContact O-N 2Å; D163-Q165 VanDerWaalsContact O-N 3.17Å; D163-Q165 PolarHBondContact OD1-N 3.39Å; D163-S166 WeakPolarHBondContact CB-O 3.32Å; D163-S166 PolarHBondContact O-N 2.91Å; D163-S166 VanDerWaalsContact O-O 3.04Å; D163-S166 WeakPolarHBondContact OD2-CB 3.48Å; D163-H169 HydrophobicContact CB-CB 4.42Å; D163-L171 HydrophobicContact CB-CD2 4.3Å; D163-L171 HydrophobicContact CB-CG 4.08Å; D163-R187 IonicContact OD1-CZ 3.72Å; D163-R187 IonicContact OD1-NE 3.85Å; D163-R187 IonicContact OD1-NH2 2.77Å; D163-R187 PolarHBondContact OD1-NH2 2.79Å; D163-R187 IonicContact OD2-CZ 3.03Å; D163-R187 IonicContact OD2-NE 2.62Å; D163-R187 PolarHBondContact OD2-NE 3Å; D163-R187 IonicContact OD2-NH2 2.83Å; D163-R187 PolarHBondContact OD2-NH2 3.05Å | ||
| 164 | P | 87.2 | Confident | 87.9 | Confident | 96 Ų | 96 | 58 Ų | 58 | 62% | 0.623 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -18.4 | -177.7 | 26.2 | -34.5 | 0 | 0 | 0 | 113.6 | A147 T162 | A147-P164 WeakPolarHBondContact O-CD 3.11Å; T162-P164 WeakPolarHBondContact O-CD 3.35Å |
| 165 | Q | 88.8 | Confident | 87.8 | Confident | 138 Ų | 138 | 61.6 Ų | 61.6 | 65% | 0.645 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -13 | -178.9 | -49.2 | -178.1 | -44.7 | 0 | 0 | 113.3 | D163 | D163-Q165 PolarHBondContact O-N 2Å; D163-Q165 VanDerWaalsContact O-N 3.17Å; D163-Q165 PolarHBondContact OD1-N 3.39Å |
| 166 | S | 87.1 | Confident | 87.7 | Confident | 31 Ų | 31 | 58.6 Ų | 58.6 | 22% | 0.217 | 31% | 0.308 | C | S | . | . | trans | -154.3 | 130.9 | -176.3 | -173 | 0 | 0 | 0 | 0 | 112.1 | D163 T168 H169 | D163-S166 WeakPolarHBondContact CB-O 3.32Å; D163-S166 PolarHBondContact O-N 2.91Å; D163-S166 VanDerWaalsContact O-O 3.04Å; D163-S166 WeakPolarHBondContact OD2-CB 3.48Å; S166-T168 PolarHBondContact OG-N 2.96Å; S166-T168 PolarHBondContact OG-OG1 3.42Å; S166-T168 VanDerWaalsContact OG-OG1 3.13Å; S166-H169 PolarHBondContact OG-ND1 3.38Å | ||
| 167 | R | 85.8 | Confident | 87.5 | Confident | 188 Ų | 188 | 61.8 Ų | 61.8 | 71% | 0.709 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -20.5 | 174.6 | -58.5 | -169.4 | -156.8 | 171.9 | 5.5 | 113.7 | V195 F196 | R167-V195 HydrophobicContact CB-CB 4.38Å; R167-V195 HydrophobicContact CB-CG1 3.93Å; R167-V195 VanDerWaalsContact O-CA 3.22Å; R167-V195 WeakPolarHBondContact O-CA 3.44Å; R167-V195 WeakPolarHBondContact O-CB 3Å; R167-F196 PolarHBondContact O-N 3.39Å; R167-F196 VanDerWaalsContact O-N 3.1Å |
| 168 | T | 87.6 | Confident | 87 | Confident | 69 Ų | 69 | 66.2 Ų | 66.2 | 42% | 0.423 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 5.2 | 177.5 | 57.3 | 0 | 0 | 0 | 0 | 112.3 | S166 C190 | S166-T168 PolarHBondContact OG-N 2.96Å; S166-T168 PolarHBondContact OG-OG1 3.42Å; S166-T168 VanDerWaalsContact OG-OG1 3.13Å; T168-C190 VanDerWaalsContact O-CB 3.29Å; T168-C190 WeakPolarHBondContact O-CB 3.36Å; T168-C190 PolarHBondContact O-N 2.83Å |
| 169 | H | 91.5 | Very high | 86.6 | Confident | 57 Ų | 57 | 67.4 Ų | 67.4 | 26% | 0.264 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 158.4 | 172.9 | -62.6 | 73.5 | 0 | 0 | 0 | 109.5 | D163 S166 R187 M188 | D163-H169 HydrophobicContact CB-CB 4.42Å; S166-H169 PolarHBondContact OG-ND1 3.38Å; H169-R187 HydrophobicContact CB-CG 3.75Å; H169-M188 CarbonylContact C-O 3.53Å; H169-M188 WeakPolarHBondContact CA-O 3.31Å; H169-M188 WeakPolarHBondContact CB-O 3.43Å |
| 170 | Y | 92.6 | Very high | 86.2 | Confident | 45 Ų | 45 | 70.3 Ų | 70.3 | 18% | 0.176 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 163.5 | 171.5 | 64 | -84.5 | 0 | 0 | 0 | 109.5 | L160 Q172 R187 M188 F196 | L160-Y170 HydrophobicContact CD2-CD2 3.74Å; L160-Y170 HydrophobicContact CD2-CE2 3.57Å; Y170-Q172 HydrophobicContact CE2-CB 4.17Å; Y170-R187 WeakPolarHBondContact O-CA 3.48Å; Y170-M188 HydrophobicContact CD1-CB 3.97Å; Y170-M188 WeakPolarHBondContact CD1-O 3.41Å; Y170-M188 HydrophobicContact CD2-CB 3.97Å; Y170-M188 HydrophobicContact CD2-CG 4.44Å; Y170-M188 HydrophobicContact CE1-CB 3.5Å; Y170-M188 HydrophobicContact CE2-CB 3.49Å; Y170-M188 VanDerWaalsContact CE2-CB 3.49Å; Y170-M188 HydrophobicContact CE2-CG 3.83Å; Y170-M188 HydrophobicContact CG-CB 4.19Å; Y170-M188 PolarHBondContact N-O 3.38Å; Y170-M188 PolarHBondContact O-N 2.73Å; Y170-F196 VanDerWaalsContact CB-CD2 3.49Å; Y170-F196 VanDerWaalsContact CB-CG 3.4Å; Y170-F196 HydrophobicContact CD1-CD2 4.16Å; Y170-F196 HydrophobicContact CD2-CD2 4.49Å; Y170-F196 HydrophobicContact CD2-CE2 4.35Å; Y170-F196 AromaticContact CG-CD2 3.82Å; Y170-F196 HydrophobicContact CG-CD2 3.82Å; Y170-F196 HydrophobicContact CG-CE2 4.12Å; Y170-F196 HydrophobicContact CG-CG 4.24Å |
| 171 | L | 93.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 131.2 | 174.3 | -59.7 | 177.6 | 0 | 0 | 0 | 108.7 | A147 L160 A161 D163 W185 Q186 R187 | A147-L171 HydrophobicContact CB-CD1 3.72Å; L160-L171 CarbonylContact C-O 3.35Å; L160-L171 WeakPolarHBondContact CA-O 3.39Å; A161-L171 HydrophobicContact CB-CB 4.2Å; A161-L171 PolarHBondContact N-O 2.81Å; A161-L171 PolarHBondContact O-N 2.81Å; D163-L171 HydrophobicContact CB-CD2 4.3Å; D163-L171 HydrophobicContact CB-CG 4.08Å; L171-W185 HydrophobicContact CB-CB 4.31Å; L171-W185 HydrophobicContact CB-CD2 4.02Å; L171-W185 HydrophobicContact CB-CE3 3.58Å; L171-W185 HydrophobicContact CB-CG 4.35Å; L171-W185 HydrophobicContact CB-CZ3 4.23Å; L171-W185 HydrophobicContact CD1-CB 4.35Å; L171-W185 HydrophobicContact CD1-CG 4.3Å; L171-W185 HydrophobicContact CD2-CB 4.49Å; L171-Q186 CarbonylContact C-O 3.53Å; L171-Q186 VanDerWaalsContact CA-O 3.31Å; L171-Q186 WeakPolarHBondContact CA-O 3.1Å; L171-R187 HydrophobicContact CD2-CB 4.26Å |
| 172 | Q | 93.1 | Very high | 85.6 | Confident | 68 Ų | 68 | 71.8 Ų | 71.8 | 32% | 0.318 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 129.9 | 172.5 | -177.1 | 174.3 | 38.2 | 0 | 0 | 109.7 | P159 L160 Y170 Q174 Q186 M188 | P159-Q172 WeakPolarHBondContact O-CA 3.49Å; L160-Q172 HydrophobicContact CD2-CB 3.9Å; L160-Q172 HydrophobicContact CD2-CG 3.85Å; Y170-Q172 HydrophobicContact CE2-CB 4.17Å; Q172-Q174 PolarHBondContact O-N 3.32Å; Q172-Q186 PolarHBondContact N-O 2.89Å; Q172-Q186 PolarHBondContact O-N 3.35Å; Q172-M188 HydrophobicContact CB-CG 3.78Å |
| 173 | C | 90.3 | Very high | 85.5 | Confident | 11 Ų | 11 | 68.9 Ų | 68.9 | 7% | 0.074 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 114.1 | 178.7 | -170.1 | 0 | 0 | 0 | 0 | 110.2 | C153 W155 D158 P159 W185 | C153-C173 HydrophobicContact CB-CB 3.81Å; C153-C173 WeakPolarHBondContact CB-SG 3.41Å; C153-C173 WeakPolarHBondContact SG-CA 3.32Å; C153-C173 WeakPolarHBondContact SG-CB 3.42Å; C153-C173 CovalentContact SG-SG 2Å; C153-C173 PolarHBondContact SG-SG 3.26Å; W155-C173 WeakPolarHBondContact CA-SG 3.06Å; W155-C173 HydrophobicContact CB-CB 4.3Å; W155-C173 WeakPolarHBondContact CB-SG 3.21Å; W155-C173 PolarHBondContact N-SG 3.41Å; W155-C173 VanDerWaalsContact N-SG 3.39Å; D158-C173 WeakPolarHBondContact O-CB 3.22Å; P159-C173 PolarHBondContact O-N 3.35Å; C173-W185 HydrophobicContact CB-CE3 3.87Å; C173-W185 HydrophobicContact CB-CH2 4.03Å; C173-W185 HydrophobicContact CB-CZ3 3.59Å; C173-W185 VanDerWaalsContact N-CZ3 3.35Å |
| 174 | Q | 89.5 | Confident | 85.4 | Confident | 89 Ų | 89 | 74.1 Ų | 74.1 | 42% | 0.416 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 134.1 | 176.7 | -67.8 | -171.2 | -6.7 | 0 | 0 | 110.9 | Q172 A176 G183 R184 Q186 | Q172-Q174 PolarHBondContact O-N 3.32Å; Q174-A176 PolarHBondContact O-N 2.82Å; Q174-G183 CarbonylContact O-C 3.44Å; Q174-G183 WeakPolarHBondContact O-CA 3.47Å; Q174-R184 PolarHBondContact N-O 3.18Å; Q174-R184 PolarHBondContact O-N 3.04Å; Q174-Q186 HydrophobicContact CB-CG 4.23Å; Q174-Q186 HydrophobicContact CG-CB 4.3Å; Q174-Q186 HydrophobicContact CG-CG 3.77Å |
| 175 | P | 85.7 | Confident | 85.5 | Confident | 81 Ų | 81 | 69.6 Ų | 69.6 | 53% | 0.526 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 137.3 | -179.3 | -21.3 | 29.9 | 0 | 0 | 0 | 112.6 | W155 | W155-P175 HydrophobicContact CB-CG 4.44Å; W155-P175 HydrophobicContact CD2-CB 4.11Å; W155-P175 HydrophobicContact CD2-CG 3.76Å; W155-P175 HydrophobicContact CE3-CG 3.83Å; W155-P175 HydrophobicContact CG-CB 4.11Å; W155-P175 HydrophobicContact CG-CG 4.03Å; W155-P175 HydrophobicContact CZ3-CG 4.39Å |
| 176 | A | 82.1 | Confident | 85.7 | Confident | 29 Ų | 29 | 64.9 Ų | 64.9 | 24% | 0.24 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 143.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q174 N178 N179 C182 | Q174-A176 PolarHBondContact O-N 2.82Å; A176-N178 PolarHBondContact O-N 3.31Å; A176-N179 HydrophobicContact CB-CB 4.32Å; A176-N179 PolarHBondContact O-N 3.17Å; A176-C182 VanDerWaalsContact CB-O 3.3Å; A176-C182 WeakPolarHBondContact CB-O 3.47Å; A176-C182 PolarHBondContact N-O 3.45Å |
| 177 | P | 73.9 | Confident | 86 | Confident | 129 Ų | 129 | 67.2 Ų | 67.2 | 84% | 0.838 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -25.2 | -175.7 | 24.4 | -33.9 | 0 | 0 | 0 | 114 | ||
| 178 | N | 73.1 | Confident | 86.4 | Confident | 162 Ų | 162 | 60.8 Ų | 60.8 | 87% | 0.866 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | 8.5 | -174.2 | -62.6 | -25.6 | 0 | 0 | 0 | 113.4 | A176 | A176-N178 PolarHBondContact O-N 3.31Š|
| 179 | N | 73.9 | Confident | 86.7 | Confident | 48 Ų | 48 | 61.6 Ų | 61.6 | 26% | 0.257 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 120.8 | -179 | -166.5 | -43.9 | 0 | 0 | 0 | 110.8 | A176 F181 C182 | A176-N179 HydrophobicContact CB-CB 4.32Å; A176-N179 PolarHBondContact O-N 3.17Å; N179-F181 VanDerWaalsContact C-N 3.29Å; N179-F181 PolarHBondContact O-N 3.04Å; N179-F181 PolarHBondContact OD1-N 3.13Å; N179-C182 HydrophobicContact CB-CB 3.93Å; N179-C182 VanDerWaalsContact CG-CB 3.47Å; N179-C182 PolarHBondContact ND2-SG 3.25Å; N179-C182 PolarHBondContact OD1-N 3.34Å; N179-C182 VanDerWaalsContact OD1-N 3.15Å; N179-C182 PolarHBondContact OD1-SG 2.83Å; N179-C182 VanDerWaalsContact OD1-SG 3.39Å |
| 180 | L | 74.4 | Confident | 86.6 | Confident | 129 Ų | 129 | 59.6 Ų | 59.6 | 68% | 0.675 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.5 | -22.4 | -173.6 | -153.8 | 100.3 | 0 | 0 | 0 | 113.5 | W155 | W155-L180 PolarHBondContact NE1-O 2.9Å |
| 181 | F | 82.6 | Confident | 86.3 | Confident | 60 Ų | 60 | 60.3 Ų | 60.3 | 26% | 0.263 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | -19.1 | -174.1 | -55.3 | -70.9 | 0 | 0 | 0 | 112.8 | Q134 C136 W155 M156 N179 | Q134-F181 HydrophobicContact CB-CD1 3.93Å; Q134-F181 HydrophobicContact CB-CE1 3.98Å; C136-F181 WeakPolarHBondContact CB-O 3.14Å; W155-F181 VanDerWaalsContact CD1-C 3.47Å; W155-F181 PolarHBondContact N-O 2.81Å; M156-F181 HydrophobicContact SD-CD1 3.99Å; M156-F181 HydrophobicContact SD-CE1 4.39Å; N179-F181 VanDerWaalsContact C-N 3.29Å; N179-F181 PolarHBondContact O-N 3.04Å; N179-F181 PolarHBondContact OD1-N 3.13Å |
| 182 | C | 84.8 | Confident | 85.9 | Confident | 4 Ų | 4 | 66.1 Ų | 66.1 | 3% | 0.027 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 146.2 | -177.2 | -54.5 | 0 | 0 | 0 | 0 | 112.2 | C136 I152 C153 A176 N179 | C136-C182 HydrophobicContact CB-CB 3.86Å; C136-C182 WeakPolarHBondContact CB-SG 3.29Å; C136-C182 VanDerWaalsContact SG-CA 3.6Å; C136-C182 WeakPolarHBondContact SG-CB 3.25Å; C136-C182 CovalentContact SG-SG 2.01Å; C136-C182 PolarHBondContact SG-SG 2.93Å; I152-C182 HydrophobicContact CG2-CB 4.31Å; C153-C182 CarbonylContact O-C 3.42Å; C153-C182 WeakPolarHBondContact O-CA 3.43Å; A176-C182 VanDerWaalsContact CB-O 3.3Å; A176-C182 WeakPolarHBondContact CB-O 3.47Å; A176-C182 PolarHBondContact N-O 3.45Å; N179-C182 HydrophobicContact CB-CB 3.93Å; N179-C182 VanDerWaalsContact CG-CB 3.47Å; N179-C182 PolarHBondContact ND2-SG 3.25Å; N179-C182 PolarHBondContact OD1-N 3.34Å; N179-C182 VanDerWaalsContact OD1-N 3.15Å; N179-C182 PolarHBondContact OD1-SG 2.83Å; N179-C182 VanDerWaalsContact OD1-SG 3.39Å |
| 183 | G | 88.4 | Confident | 85.4 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | -172.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | C153 Q174 | C153-G183 PolarHBondContact N-O 2.62Å; C153-G183 VanDerWaalsContact N-O 3.08Å; C153-G183 PolarHBondContact O-N 2.81Å; Q174-G183 CarbonylContact O-C 3.44Å; Q174-G183 WeakPolarHBondContact O-CA 3.47Å |
| 184 | R | 88.1 | Confident | 85.2 | Confident | 121 Ų | 121 | 64.9 Ų | 64.9 | 46% | 0.457 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 138.4 | 170.7 | -69 | -170.9 | 175.5 | -81.3 | -1.9 | 111.1 | Q150 G151 C153 Q174 Q186 | Q150-R184 PolarHBondContact O-NH1 3.15Å; G151-R184 WeakPolarHBondContact O-CA 3.39Å; C153-R184 PolarHBondContact SG-N 2.77Å; C153-R184 VanDerWaalsContact SG-N 3.39Å; Q174-R184 PolarHBondContact N-O 3.18Å; Q174-R184 PolarHBondContact O-N 3.04Å; R184-Q186 PolarHBondContact O-N 2.97Å |
| 185 | W | 90.3 | Very high | 85.2 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.008 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 117.5 | 173.1 | -72.5 | 126.1 | 0 | 0 | 0 | 110.7 | G143 A147 Q148 Q150 G151 C153 D158 A161 L171 C173 | G143-W185 WeakPolarHBondContact O-CZ2 3.39Å; A147-W185 HydrophobicContact CB-CD2 4.29Å; A147-W185 HydrophobicContact CB-CZ2 4.01Å; Q148-W185 WeakPolarHBondContact O-CB 3.19Å; Q150-W185 PolarHBondContact N-O 3.11Å; G151-W185 PolarHBondContact O-N 3.33Å; C153-W185 HydrophobicContact CB-CD2 3.65Å; C153-W185 HydrophobicContact CB-CE3 4.26Å; C153-W185 HydrophobicContact CB-CG 4.06Å; C153-W185 HydrophobicContact CB-CH2 4.12Å; C153-W185 HydrophobicContact CB-CZ2 3.48Å; C153-W185 VanDerWaalsContact CB-CZ2 3.48Å; C153-W185 HydrophobicContact CB-CZ3 4.48Å; C153-W185 PolarHBondContact SG-N 3.48Å; D158-W185 HydrophobicContact CB-CH2 3.92Å; D158-W185 HydrophobicContact CB-CZ2 4.1Å; D158-W185 WeakPolarHBondContact O-CH2 3.11Å; A161-W185 HydrophobicContact CB-CE3 4.47Å; A161-W185 HydrophobicContact CB-CH2 3.65Å; A161-W185 HydrophobicContact CB-CZ2 3.93Å; A161-W185 HydrophobicContact CB-CZ3 3.93Å; L171-W185 HydrophobicContact CB-CB 4.31Å; L171-W185 HydrophobicContact CB-CD2 4.02Å; L171-W185 HydrophobicContact CB-CE3 3.58Å; L171-W185 HydrophobicContact CB-CG 4.35Å; L171-W185 HydrophobicContact CB-CZ3 4.23Å; L171-W185 HydrophobicContact CD1-CB 4.35Å; L171-W185 HydrophobicContact CD1-CG 4.3Å; L171-W185 HydrophobicContact CD2-CB 4.49Å; C173-W185 HydrophobicContact CB-CE3 3.87Å; C173-W185 HydrophobicContact CB-CH2 4.03Å; C173-W185 HydrophobicContact CB-CZ3 3.59Å; C173-W185 VanDerWaalsContact N-CZ3 3.35Å |
| 186 | Q | 92.4 | Very high | 85.4 | Confident | 39 Ų | 39 | 58.9 Ų | 58.9 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 138.1 | 170.7 | -64.4 | -50.3 | -49.8 | 0 | 0 | 110.3 | L171 Q172 Q174 R184 | L171-Q186 CarbonylContact C-O 3.53Å; L171-Q186 VanDerWaalsContact CA-O 3.31Å; L171-Q186 WeakPolarHBondContact CA-O 3.1Å; Q172-Q186 PolarHBondContact N-O 2.89Å; Q172-Q186 PolarHBondContact O-N 3.35Å; Q174-Q186 HydrophobicContact CB-CG 4.23Å; Q174-Q186 HydrophobicContact CG-CB 4.3Å; Q174-Q186 HydrophobicContact CG-CG 3.77Å; R184-Q186 PolarHBondContact O-N 2.97Å |
| 187 | R | 93.9 | Very high | 85.6 | Confident | 79 Ų | 79 | 59.6 Ų | 59.6 | 30% | 0.298 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 124.2 | 177.5 | 179.7 | 176.7 | -83.8 | 158.4 | 2.3 | 109.6 | Y149 D163 H169 Y170 L171 | Y149-R187 HydrophobicContact CD2-CB 3.77Å; Y149-R187 HydrophobicContact CE2-CB 4.14Å; D163-R187 IonicContact OD1-CZ 3.72Å; D163-R187 IonicContact OD1-NE 3.85Å; D163-R187 IonicContact OD1-NH2 2.77Å; D163-R187 PolarHBondContact OD1-NH2 2.79Å; D163-R187 IonicContact OD2-CZ 3.03Å; D163-R187 IonicContact OD2-NE 2.62Å; D163-R187 PolarHBondContact OD2-NE 3Å; D163-R187 IonicContact OD2-NH2 2.83Å; D163-R187 PolarHBondContact OD2-NH2 3.05Å; H169-R187 HydrophobicContact CB-CG 3.75Å; Y170-R187 WeakPolarHBondContact O-CA 3.48Å; L171-R187 HydrophobicContact CD2-CB 4.26Å |
| 188 | M | 92.9 | Very high | 86 | Confident | 54 Ų | 54 | 56.6 Ų | 56.6 | 27% | 0.266 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 133.9 | -179.9 | -60.7 | -56.8 | -66.5 | 0 | 0 | 109.5 | H169 Y170 Q172 | H169-M188 CarbonylContact C-O 3.53Å; H169-M188 WeakPolarHBondContact CA-O 3.31Å; H169-M188 WeakPolarHBondContact CB-O 3.43Å; Y170-M188 HydrophobicContact CD1-CB 3.97Å; Y170-M188 WeakPolarHBondContact CD1-O 3.41Å; Y170-M188 HydrophobicContact CD2-CB 3.97Å; Y170-M188 HydrophobicContact CD2-CG 4.44Å; Y170-M188 HydrophobicContact CE1-CB 3.5Å; Y170-M188 HydrophobicContact CE2-CB 3.49Å; Y170-M188 VanDerWaalsContact CE2-CB 3.49Å; Y170-M188 HydrophobicContact CE2-CG 3.83Å; Y170-M188 HydrophobicContact CG-CB 4.19Å; Y170-M188 PolarHBondContact N-O 3.38Å; Y170-M188 PolarHBondContact O-N 2.73Å; Q172-M188 HydrophobicContact CB-CG 3.78Å |
| 189 | P | 93.7 | Very high | 86.6 | Confident | 85 Ų | 85 | 57.3 Ų | 57.3 | 55% | 0.552 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 139.9 | 177.4 | 31 | -33.4 | 0 | 0 | 0 | 111 | ||
| 190 | C | 89.2 | Confident | 87 | Confident | 15 Ų | 15 | 57.9 Ų | 57.9 | 10% | 0.101 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 163.5 | 160.3 | -74.6 | 0 | 0 | 0 | 0 | 110.3 | T168 T194 C203 | T168-C190 VanDerWaalsContact O-CB 3.29Å; T168-C190 WeakPolarHBondContact O-CB 3.36Å; T168-C190 PolarHBondContact O-N 2.83Å; C190-T194 WeakPolarHBondContact CB-OG1 3.49Å; C190-C203 VanDerWaalsContact CA-SG 3.51Å; C190-C203 HydrophobicContact CB-CB 3.72Å; C190-C203 WeakPolarHBondContact CB-SG 3.34Å; C190-C203 WeakPolarHBondContact SG-CB 3.43Å; C190-C203 CovalentContact SG-SG 2.05Å; C190-C203 PolarHBondContact SG-SG 2.96Å |
| 191 | A | 86.4 | Confident | 87.5 | Confident | 60 Ų | 60 | 55.1 Ų | 55.1 | 50% | 0.496 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 153.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | G193 T194 | A191-G193 PolarHBondContact O-N 3.32Å; A191-T194 HydrophobicContact CB-CG2 4.32Å; A191-T194 PolarHBondContact N-OG1 2.94Å; A191-T194 VanDerWaalsContact N-OG1 3.13Å; A191-T194 PolarHBondContact O-N 3.28Å; A191-T194 PolarHBondContact O-OG1 2.76Å |
| 192 | P | 86.1 | Confident | 87.8 | Confident | 123 Ų | 123 | 55.9 Ų | 55.9 | 80% | 0.799 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 132.8 | 177.7 | -25.6 | 34.7 | 0 | 0 | 0 | 112.3 | T194 | P192-T194 VanDerWaalsContact C-N 3.28Å; P192-T194 PolarHBondContact O-N 3.16Å |
| 193 | G | 81.8 | Confident | 88 | Confident | 45 Ų | 45 | 57.5 Ų | 57.5 | 46% | 0.464 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | 5.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | A191 W205 D206 | A191-G193 PolarHBondContact O-N 3.32Å; G193-W205 VanDerWaalsContact O-CE3 3.26Å; G193-D206 PolarHBondContact O-N 3.36Å |
| 194 | T | 86.3 | Confident | 88 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 5% | 0.049 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 151.5 | 176.5 | 67.9 | 0 | 0 | 0 | 0 | 111.8 | C190 A191 P192 V204 W205 | C190-T194 WeakPolarHBondContact CB-OG1 3.49Å; A191-T194 HydrophobicContact CB-CG2 4.32Å; A191-T194 PolarHBondContact N-OG1 2.94Å; A191-T194 VanDerWaalsContact N-OG1 3.13Å; A191-T194 PolarHBondContact O-N 3.28Å; A191-T194 PolarHBondContact O-OG1 2.76Å; P192-T194 VanDerWaalsContact C-N 3.28Å; P192-T194 PolarHBondContact O-N 3.16Å; T194-V204 CarbonylContact C-O 3.56Å; T194-V204 WeakPolarHBondContact CA-O 3.41Å; T194-V204 VanDerWaalsContact CB-O 3.24Å; T194-V204 WeakPolarHBondContact CB-O 3.08Å; T194-W205 HydrophobicContact CG2-CD2 3.94Å; T194-W205 HydrophobicContact CG2-CE3 3.86Å; T194-W205 HydrophobicContact CG2-CG 4.47Å; T194-W205 HydrophobicContact CG2-CH2 4.42Å; T194-W205 HydrophobicContact CG2-CZ3 4.1Å |
| 195 | V | 89.1 | Confident | 88 | Confident | 23 Ų | 23 | 61.8 Ų | 61.8 | 14% | 0.139 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 147.2 | 178.3 | -69.7 | 0 | 0 | 0 | 0 | 109.8 | R167 D197 C203 V204 D206 | R167-V195 HydrophobicContact CB-CB 4.38Å; R167-V195 HydrophobicContact CB-CG1 3.93Å; R167-V195 VanDerWaalsContact O-CA 3.22Å; R167-V195 WeakPolarHBondContact O-CA 3.44Å; R167-V195 WeakPolarHBondContact O-CB 3Å; V195-D197 PolarHBondContact O-N 2.84Å; V195-C203 CarbonylContact O-C 3.52Å; V195-C203 WeakPolarHBondContact O-CA 3.45Å; V195-V204 HydrophobicContact CG2-CG2 4.34Å; V195-V204 PolarHBondContact N-O 3.06Å; V195-V204 PolarHBondContact O-N 3.49Å; V195-D206 HydrophobicContact CB-CB 4.48Å; V195-D206 HydrophobicContact CG1-CB 3.82Å; V195-D206 HydrophobicContact CG2-CB 3.89Å |
| 196 | F | 90.5 | Very high | 87.6 | Confident | 20 Ų | 20 | 63.5 Ų | 63.5 | 9% | 0.088 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 124.4 | -179.8 | -174.9 | -107 | 0 | 0 | 0 | 111.3 | L160 T162 R167 Y170 | L160-F196 HydrophobicContact CB-CE2 4.45Å; L160-F196 HydrophobicContact CB-CZ 3.84Å; L160-F196 HydrophobicContact CD1-CE2 4.27Å; L160-F196 HydrophobicContact CD1-CZ 4.33Å; T162-F196 HydrophobicContact CG2-CD1 3.78Å; T162-F196 HydrophobicContact CG2-CE1 4.23Å; R167-F196 PolarHBondContact O-N 3.39Å; R167-F196 VanDerWaalsContact O-N 3.1Å; Y170-F196 VanDerWaalsContact CB-CD2 3.49Å; Y170-F196 VanDerWaalsContact CB-CG 3.4Å; Y170-F196 HydrophobicContact CD1-CD2 4.16Å; Y170-F196 HydrophobicContact CD2-CD2 4.49Å; Y170-F196 HydrophobicContact CD2-CE2 4.35Å; Y170-F196 AromaticContact CG-CD2 3.82Å; Y170-F196 HydrophobicContact CG-CD2 3.82Å; Y170-F196 HydrophobicContact CG-CE2 4.12Å; Y170-F196 HydrophobicContact CG-CG 4.24Å |
| 197 | D | 85.7 | Confident | 86.8 | Confident | 45 Ų | 45 | 67.9 Ų | 67.9 | 24% | 0.241 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 121.2 | 171.5 | 173.6 | 42.3 | 0 | 0 | 0 | 110.6 | V195 Q199 S200 Q201 V202 V204 | V195-D197 PolarHBondContact O-N 2.84Å; D197-Q199 VanDerWaalsContact C-N 3.3Å; D197-Q199 PolarHBondContact O-N 2.98Å; D197-Q199 PolarHBondContact OD1-N 2.01Å; D197-S200 WeakPolarHBondContact CB-OG 3.11Å; D197-S200 VanDerWaalsContact OD2-CB 3.24Å; D197-S200 WeakPolarHBondContact OD2-CB 3.27Å; D197-S200 PolarHBondContact OD2-N 3.49Å; D197-S200 PolarHBondContact OD2-OG 3.2Å; D197-Q201 WeakPolarHBondContact O-CA 3.44Å; D197-Q201 PolarHBondContact O-N 3.39Å; D197-V202 PolarHBondContact N-O 3.08Å; D197-V202 PolarHBondContact O-N 3.15Å; D197-V204 HydrophobicContact CB-CG1 4.29Å; D197-V204 HydrophobicContact CB-CG2 3.87Å |
| 198 | V | 83.4 | Confident | 85.6 | Confident | 66 Ų | 66 | 70.6 Ų | 70.6 | 40% | 0.4 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -29 | -177.6 | 71 | 0 | 0 | 0 | 0 | 112.4 | T162 Q201 | T162-V198 HydrophobicContact CG2-CB 3.82Å; T162-V198 HydrophobicContact CG2-CG2 4.3Å; V198-Q201 PolarHBondContact O-NE2 3.28Å |
| 199 | Q | 83.9 | Confident | 83.8 | Confident | 176 Ų | 176 | 70.9 Ų | 70.9 | 82% | 0.822 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -44.4 | -177.4 | -75.2 | 175.1 | -35.2 | 0 | 0 | 111.4 | D197 | D197-Q199 VanDerWaalsContact C-N 3.3Å; D197-Q199 PolarHBondContact O-N 2.98Å; D197-Q199 PolarHBondContact OD1-N 2.01Å |
| 200 | S | 82.6 | Confident | 81.6 | Confident | 60 Ų | 60 | 75.5 Ų | 75.5 | 42% | 0.42 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -7.7 | 177.4 | 60.2 | 0 | 0 | 0 | 0 | 114 | D197 V202 | D197-S200 WeakPolarHBondContact CB-OG 3.11Å; D197-S200 VanDerWaalsContact OD2-CB 3.24Å; D197-S200 WeakPolarHBondContact OD2-CB 3.27Å; D197-S200 PolarHBondContact OD2-N 3.49Å; D197-S200 PolarHBondContact OD2-OG 3.2Å; S200-V202 PolarHBondContact O-N 3.49Å; S200-V202 VanDerWaalsContact OG-CG1 3.31Å; S200-V202 WeakPolarHBondContact OG-CG1 2.99Å |
| 201 | Q | 86.3 | Confident | 79.5 | Confident | 71 Ų | 71 | 81 Ų | 81 | 33% | 0.332 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 33.7 | -179.4 | -64.4 | -81 | -60.3 | 0 | 0 | 112.5 | L160 D197 V198 | L160-Q201 HydrophobicContact CD1-CB 4.32Å; L160-Q201 WeakPolarHBondContact CD1-O 3.35Å; D197-Q201 WeakPolarHBondContact O-CA 3.44Å; D197-Q201 PolarHBondContact O-N 3.39Å; V198-Q201 PolarHBondContact O-NE2 3.28Å |
| 202 | V | 88.1 | Confident | 77.8 | Confident | 76 Ų | 76 | 81 Ų | 81 | 46% | 0.461 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 156.9 | -177.8 | 65.7 | 0 | 0 | 0 | 0 | 111.1 | D197 S200 V204 | D197-V202 PolarHBondContact N-O 3.08Å; D197-V202 PolarHBondContact O-N 3.15Å; S200-V202 PolarHBondContact O-N 3.49Å; S200-V202 VanDerWaalsContact OG-CG1 3.31Å; S200-V202 WeakPolarHBondContact OG-CG1 2.99Å; V202-V204 HydrophobicContact CG1-CG1 4.05Å |
| 203 | C | 88.3 | Confident | 75.6 | Confident | 38 Ų | 38 | 81.8 Ų | 81.8 | 26% | 0.257 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 124.5 | 171 | -56.3 | 0 | 0 | 0 | 0 | 110.2 | C190 V195 | C190-C203 VanDerWaalsContact CA-SG 3.51Å; C190-C203 HydrophobicContact CB-CB 3.72Å; C190-C203 WeakPolarHBondContact CB-SG 3.34Å; C190-C203 WeakPolarHBondContact SG-CB 3.43Å; C190-C203 CovalentContact SG-SG 2.05Å; C190-C203 PolarHBondContact SG-SG 2.96Å; V195-C203 CarbonylContact O-C 3.52Å; V195-C203 WeakPolarHBondContact O-CA 3.45Å |
| 204 | V | 89.6 | Confident | 73.6 | Confident | 57 Ų | 57 | 86.8 Ų | 86.8 | 35% | 0.345 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 158.6 | 179.7 | -61.1 | 0 | 0 | 0 | 0 | 110.4 | T194 V195 D197 V202 D206 | T194-V204 CarbonylContact C-O 3.56Å; T194-V204 WeakPolarHBondContact CA-O 3.41Å; T194-V204 VanDerWaalsContact CB-O 3.24Å; T194-V204 WeakPolarHBondContact CB-O 3.08Å; V195-V204 HydrophobicContact CG2-CG2 4.34Å; V195-V204 PolarHBondContact N-O 3.06Å; V195-V204 PolarHBondContact O-N 3.49Å; D197-V204 HydrophobicContact CB-CG1 4.29Å; D197-V204 HydrophobicContact CB-CG2 3.87Å; V202-V204 HydrophobicContact CG1-CG1 4.05Å; V204-D206 PolarHBondContact O-N 3.44Å |
| 205 | W | 86.8 | Confident | 71.6 | Confident | 156 Ų | 156 | 91.9 Ų | 91.9 | 59% | 0.591 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 134.1 | 176 | -69 | 105.6 | 0 | 0 | 0 | 111.3 | G193 T194 T207 Y220 | G193-W205 VanDerWaalsContact O-CE3 3.26Å; T194-W205 HydrophobicContact CG2-CD2 3.94Å; T194-W205 HydrophobicContact CG2-CE3 3.86Å; T194-W205 HydrophobicContact CG2-CG 4.47Å; T194-W205 HydrophobicContact CG2-CH2 4.42Å; T194-W205 HydrophobicContact CG2-CZ3 4.1Å; W205-T207 PolarHBondContact O-N 2.69Å; W205-T207 VanDerWaalsContact O-N 3.08Å; W205-Y220 HydrophobicContact CZ2-CE2 4.44Å |
| 206 | D | 82.6 | Confident | 69.3 | Low | 38 Ų | 38 | 97 Ų | 97 | 20% | 0.203 | 55% | 0.553 | C | S | . | * | trans | -76 | 99.1 | 179.3 | -176.6 | 6.4 | 0 | 0 | 0 | 110.8 | G193 V195 V204 N208 S209 | G193-D206 PolarHBondContact O-N 3.36Å; V195-D206 HydrophobicContact CB-CB 4.48Å; V195-D206 HydrophobicContact CG1-CB 3.82Å; V195-D206 HydrophobicContact CG2-CB 3.89Å; V204-D206 PolarHBondContact O-N 3.44Å; D206-N208 PolarHBondContact O-N 2.96Å; D206-N208 WeakPolarHBondContact OD1-CB 3.44Å; D206-N208 PolarHBondContact OD1-N 3.01Å; D206-S209 WeakPolarHBondContact CB-OG 3.41Å; D206-S209 PolarHBondContact O-N 3.2Å; D206-S209 PolarHBondContact O-OG 2.86Å; D206-S209 WeakPolarHBondContact OD2-CB 3.21Å | ||
| 207 | T | 75.6 | Confident | 66.8 | Low | 130 Ų | 130 | 101.5 Ų | 101.5 | 80% | 0.798 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -12.8 | 179.1 | 57.5 | 0 | 0 | 0 | 0 | 113.7 | W205 | W205-T207 PolarHBondContact O-N 2.69Å; W205-T207 VanDerWaalsContact O-N 3.08Å |
| 208 | N | 68.4 | Low | 64.7 | Low | 137 Ų | 137 | 103.2 Ų | 103.2 | 73% | 0.733 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -9.5 | 177.9 | -65.1 | -53.1 | 0 | 0 | 0 | 113.1 | D206 | D206-N208 PolarHBondContact O-N 2.96Å; D206-N208 WeakPolarHBondContact OD1-CB 3.44Å; D206-N208 PolarHBondContact OD1-N 3.01Å |
| 209 | S | 54.9 | Low | 62.5 | Low | 59 Ų | 59 | 104.8 Ų | 104.8 | 41% | 0.413 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -79.9 | 126.5 | 172.7 | 61.3 | 0 | 0 | 0 | 0 | 109.8 | D206 | D206-S209 WeakPolarHBondContact CB-OG 3.41Å; D206-S209 PolarHBondContact O-N 3.2Å; D206-S209 PolarHBondContact O-OG 2.86Å; D206-S209 WeakPolarHBondContact OD2-CB 3.21Å |
| 210 | Q | 48.7 | Very low | 60.2 | Low | 182 Ų | 182 | 105.2 Ų | 105.2 | 85% | 0.85 | 61% | 0.612 | S | S | * | * | trans | -51.6 | 144 | 173.3 | -86.3 | 177.5 | -29.3 | 0 | 0 | 109.8 | G212 | Q210-G212 PolarHBondContact O-N 3.48Š| ||
| 211 | P | 44.8 | Very low | 58.2 | Low | 130 Ų | 130 | 106 Ų | 106 | 84% | 0.844 | 61% | 0.614 | S | S | * | * | trans | -65.8 | 84.6 | 178.6 | 26.6 | -32.5 | 0 | 0 | 0 | 110 | ||||
| 212 | G | 51 | Low | 55.6 | Low | 61 Ų | 61 | 106 Ų | 106 | 63% | 0.629 | 62% | 0.621 | S | S | * | * | trans | -63.5 | 138.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | Q210 L214 | Q210-G212 PolarHBondContact O-N 3.48Å; G212-L214 PolarHBondContact O-N 3.08Å; G212-L214 VanDerWaalsContact O-N 3.15Å | ||
| 213 | T | 39.4 | Very low | 53.3 | Low | 139 Ų | 139 | 109.1 Ų | 109.1 | 85% | 0.853 | 64% | 0.641 | S | S | * | * | trans | -37.3 | 118.8 | -178.9 | 48.7 | 0 | 0 | 0 | 0 | 111.7 | P215 | T213-P215 WeakPolarHBondContact O-CD 3.38Š| ||
| 214 | L | 40.4 | Very low | 50.8 | Low | 150 Ų | 150 | 115 Ų | 115 | 79% | 0.785 | 66% | 0.664 | S | S | * | * | trans | -47.5 | 122.3 | 173.2 | -87.6 | 87.3 | 0 | 0 | 0 | 109.1 | G212 T216 | G212-L214 PolarHBondContact O-N 3.08Å; G212-L214 VanDerWaalsContact O-N 3.15Å; L214-T216 PolarHBondContact O-N 2.85Å | ||
| 215 | P | 42.8 | Very low | 48.2 | Very low | 116 Ų | 116 | 116.3 Ų | 116.3 | 75% | 0.753 | 68% | 0.682 | S | S | * | * | trans | -61.7 | 130.1 | 150.2 | 26.5 | -27 | 0 | 0 | 0 | 106.6 | T213 | T213-P215 WeakPolarHBondContact O-CD 3.38Š| ||
| 216 | T | 42.5 | Very low | 45.9 | Very low | 131 Ų | 131 | 114.1 Ų | 114.1 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | trans | -40.9 | 132.7 | 176.8 | -5 | 0 | 0 | 0 | 0 | 110.2 | L214 A218 | L214-T216 PolarHBondContact O-N 2.85Å; T216-A218 PolarHBondContact O-N 3.16Å | ||
| 217 | P | 37.5 | Very low | 43.9 | Very low | 113 Ų | 113 | 121.8 Ų | 121.8 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | trans | -59.5 | 110.6 | -172.6 | 21.7 | -31.4 | 0 | 0 | 0 | 110.1 | ||||
| 218 | A | 41.4 | Very low | 42.3 | Very low | 81 Ų | 81 | 121.5 Ų | 121.5 | 67% | 0.669 | 72% | 0.716 | S | S | * | * | trans | -64.3 | 135.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | T216 Y220 | T216-A218 PolarHBondContact O-N 3.16Å; A218-Y220 PolarHBondContact O-N 3.34Å | ||
| 219 | P | 36.1 | Very low | 41.4 | Very low | 99 Ų | 99 | 119.9 Ų | 119.9 | 64% | 0.643 | 72% | 0.722 | S | S | * | * | trans | -58.3 | 115.8 | -176.8 | 21.4 | -30.6 | 0 | 0 | 0 | 109.9 | V221 | P219-V221 PolarHBondContact O-N 2.91Š| ||
| 220 | Y | 36.9 | Very low | 41.5 | Very low | 186 Ų | 186 | 122.5 Ų | 122.5 | 73% | 0.729 | 73% | 0.727 | S | S | * | * | trans | -62 | 121.8 | 179.2 | -145 | -99.3 | 0 | 0 | 0 | 109.1 | W205 A218 S222 | W205-Y220 HydrophobicContact CZ2-CE2 4.44Å; A218-Y220 PolarHBondContact O-N 3.34Å; Y220-S222 PolarHBondContact O-N 3.27Å | ||
| 221 | V | 39.7 | Very low | 42.3 | Very low | 76 Ų | 76 | 115.2 Ų | 115.2 | 46% | 0.461 | 70% | 0.696 | S | S | . | * | trans | -88.4 | 102.1 | 165.6 | -177.2 | 0 | 0 | 0 | 0 | 106.7 | P219 T223 | P219-V221 PolarHBondContact O-N 2.91Å; V221-T223 PolarHBondContact O-N 2.7Å | ||
| 222 | S | 33.1 | Very low | 43.6 | Very low | 71 Ų | 71 | 111.6 Ų | 111.6 | 50% | 0.497 | 68% | 0.682 | S | S | . | * | trans | -61.8 | 128 | 171 | -178.3 | 0 | 0 | 0 | 0 | 110 | Y220 Q224 | Y220-S222 PolarHBondContact O-N 3.27Å; S222-Q224 VanDerWaalsContact C-N 3.31Å; S222-Q224 PolarHBondContact OG-N 3.02Å | ||
| 223 | T | 39.8 | Very low | 44.9 | Very low | 141 Ų | 141 | 109.9 Ų | 109.9 | 87% | 0.865 | 66% | 0.66 | S | S | * | * | trans | -90.9 | 14.1 | 168.6 | 43.2 | 0 | 0 | 0 | 0 | 112.9 | V221 A225 | V221-T223 PolarHBondContact O-N 2.7Å; T223-A225 PolarHBondContact O-N 3.39Å | ||
| 224 | Q | 33.9 | Very low | 46.6 | Very low | 161 Ų | 161 | 108.9 Ų | 108.9 | 75% | 0.752 | 65% | 0.654 | S | S | * | * | trans | -65.4 | 107.7 | 159.8 | -79.3 | 178.3 | -27.6 | 0 | 0 | 107.4 | S222 P226 | S222-Q224 VanDerWaalsContact C-N 3.31Å; S222-Q224 PolarHBondContact OG-N 3.02Å; Q224-P226 WeakPolarHBondContact O-CD 3.33Å; Q224-P226 VanDerWaalsContact O-N 3.15Å | ||
| 225 | A | 36.8 | Very low | 48.2 | Very low | 86 Ų | 86 | 105.4 Ų | 105.4 | 71% | 0.711 | 66% | 0.655 | S | S | * | * | trans | -60.4 | 111.6 | 164 | 0 | 0 | 0 | 0 | 0 | 108 | T223 | T223-A225 PolarHBondContact O-N 3.39Š| ||
| 226 | P | 37 | Very low | 49.7 | Very low | 110 Ų | 110 | 101 Ų | 101 | 71% | 0.714 | 63% | 0.63 | S | S | * | * | trans | -73.2 | 130.7 | 157.8 | 0.1 | 21.8 | 0 | 0 | 0 | 105.1 | Q224 N228 | Q224-P226 WeakPolarHBondContact O-CD 3.33Å; Q224-P226 VanDerWaalsContact O-N 3.15Å; P226-N228 PolarHBondContact O-N 2.88Å | ||
| 227 | Q | 41.9 | Very low | 51.5 | Low | 198 Ų | 198 | 99.4 Ų | 99.4 | 93% | 0.925 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -65.7 | 43.6 | 172.5 | -70.2 | -99.2 | -23.6 | 0 | 0 | 112.2 | ||
| 228 | N | 41 | Very low | 53.6 | Low | 124 Ų | 124 | 98.6 Ų | 98.6 | 66% | 0.663 | 61% | 0.607 | S | S | * | * | trans | -120.3 | 91 | 179.9 | -138.6 | 8.6 | 0 | 0 | 0 | 110.9 | P226 Q230 | P226-N228 PolarHBondContact O-N 2.88Å; N228-Q230 PolarHBondContact O-N 2.99Å | ||
| 229 | A | 48.8 | Very low | 55.4 | Low | 104 Ų | 104 | 99 Ų | 99 | 86% | 0.86 | 60% | 0.596 | S | S | * | * | trans | -76.6 | 70.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 230 | Q | 57.6 | Low | 57.5 | Low | 114 Ų | 114 | 95.6 Ų | 95.6 | 53% | 0.533 | 58% | 0.58 | S | S | . | * | trans | -125.4 | -5.9 | -176.8 | -93 | 170.3 | -24.9 | 0 | 0 | 116.1 | N228 N259 | N228-Q230 PolarHBondContact O-N 2.99Å; Q230-N259 WeakPolarHBondContact CB-ND2 3.35Å; Q230-N259 PolarHBondContact O-ND2 3.09Å | ||
| 231 | C | 65.4 | Low | 59.7 | Low | 29 Ų | 29 | 89.9 Ų | 89.9 | 20% | 0.196 | 57% | 0.567 | C | S | . | * | S | Bend | trans | -132 | 122.7 | 164.1 | -76.4 | 0 | 0 | 0 | 0 | 110.8 | Q238 C264 V266 | C231-Q238 PolarHBondContact O-OE1 2.86Å; C231-C264 HydrophobicContact CB-CB 3.64Å; C231-C264 WeakPolarHBondContact CB-SG 3.28Å; C231-C264 WeakPolarHBondContact SG-CB 3.48Å; C231-C264 CovalentContact SG-SG 1.99Å; C231-C264 PolarHBondContact SG-SG 3.1Å; C231-V266 HydrophobicContact CB-CG1 4.07Å |
| 232 | G | 72.8 | Confident | 61.7 | Low | 53 Ų | 53 | 86.9 Ų | 86.9 | 55% | 0.546 | 55% | 0.549 | S | S | . | . | trans | -133 | 169 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 233 | C | 78.9 | Confident | 63.8 | Low | 25 Ų | 25 | 86 Ų | 86 | 17% | 0.169 | 54% | 0.539 | C | S | . | . | trans | -87.5 | 128 | -179.1 | -65.6 | 0 | 0 | 0 | 0 | 111.6 | G235 G236 Q238 C268 | C233-G235 PolarHBondContact O-N 3.17Å; C233-G236 WeakPolarHBondContact CB-O 3.07Å; C233-Q238 WeakPolarHBondContact SG-CA 3.3Å; C233-C268 WeakPolarHBondContact CA-SG 3.43Å; C233-C268 HydrophobicContact CB-CB 3.67Å; C233-C268 WeakPolarHBondContact CB-SG 3.18Å; C233-C268 WeakPolarHBondContact SG-CA 2.99Å; C233-C268 WeakPolarHBondContact SG-CB 3.34Å; C233-C268 CovalentContact SG-SG 2.02Å; C233-C268 PolarHBondContact SG-SG 3.3Å | ||
| 234 | T | 75.4 | Confident | 65.6 | Low | 118 Ų | 118 | 86.4 Ų | 86.4 | 72% | 0.724 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -77.9 | 97.1 | 174.6 | -53.2 | 0 | 0 | 0 | 0 | 109.5 | F270 | T234-F270 VanDerWaalsContact O-CE1 3.26Å; T234-F270 WeakPolarHBondContact O-CE1 3.48Å |
| 235 | G | 72.1 | Confident | 67.8 | Low | 78 Ų | 78 | 84.1 Ų | 84.1 | 80% | 0.804 | 52% | 0.524 | S | S | * | . | S | Bend | trans | 84.2 | 11.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | C233 F270 | C233-G235 PolarHBondContact O-N 3.17Å; G235-F270 WeakPolarHBondContact O-CD1 3.45Å; G235-F270 WeakPolarHBondContact O-CE1 2.97Å |
| 236 | G | 75.8 | Confident | 70 | Confident | 23 Ų | 23 | 86.3 Ų | 86.3 | 24% | 0.237 | 52% | 0.515 | C | S | . | . | S | Bend | trans | -133.2 | 176.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C233 Y269 | C233-G236 WeakPolarHBondContact CB-O 3.07Å; G236-Y269 WeakPolarHBondContact CA-O 3.26Å |
| 237 | V | 80.5 | Confident | 71.9 | Confident | 97 Ų | 97 | 87.1 Ų | 87.1 | 59% | 0.588 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 129 | 174.9 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | I239 C268 Y269 | V237-I239 HydrophobicContact CG1-CG2 4.46Å; V237-I239 PolarHBondContact O-N 2.88Å; V237-C268 WeakPolarHBondContact O-CA 2.88Å; V237-Y269 PolarHBondContact N-O 2.76Å; V237-Y269 PolarHBondContact O-N 2.01Å |
| 238 | Q | 80.5 | Confident | 73.8 | Confident | 97 Ų | 97 | 79 Ų | 79 | 45% | 0.453 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 122.5 | 172.8 | -176.6 | 178.6 | -2.8 | 0 | 0 | 109.4 | C231 C233 V266 | C231-Q238 PolarHBondContact O-OE1 2.86Å; C233-Q238 WeakPolarHBondContact SG-CA 3.3Å; Q238-V266 HydrophobicContact CG-CB 4.42Å |
| 239 | I | 79.2 | Confident | 75.6 | Confident | 88 Ų | 88 | 77.6 Ų | 77.6 | 45% | 0.451 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | -6.1 | 179.6 | 64.3 | 161.8 | 0 | 0 | 0 | 112.8 | V237 P249 S252 C267 | V237-I239 HydrophobicContact CG1-CG2 4.46Å; V237-I239 PolarHBondContact O-N 2.88Å; I239-P249 HydrophobicContact CD1-CG 4.46Å; I239-S252 VanDerWaalsContact CD1-CB 3.42Å; I239-S252 WeakPolarHBondContact CD1-OG 3.34Å; I239-C267 HydrophobicContact CG1-CB 3.94Å; I239-C267 WeakPolarHBondContact CG1-O 3.46Å; I239-C267 PolarHBondContact N-O 3.41Å |
| 240 | G | 80.5 | Confident | 77.2 | Confident | 29 Ų | 29 | 76.4 Ų | 76.4 | 30% | 0.299 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.9 | -163.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C267 | G240-C267 PolarHBondContact O-N 3.13Å |
| 241 | S | 83.6 | Confident | 78.3 | Confident | 65 Ų | 65 | 77.7 Ų | 77.7 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 147.3 | 175.8 | -57.7 | 0 | 0 | 0 | 0 | 110.5 | M265 C267 | S241-M265 WeakPolarHBondContact CA-O 3.02Å; S241-M265 WeakPolarHBondContact CB-O 2.98Å; S241-C267 PolarHBondContact O-SG 3.49Å; S241-C267 VanDerWaalsContact O-SG 3.41Å |
| 242 | C | 81 | Confident | 79.2 | Confident | 13 Ų | 13 | 77 Ų | 77 | 9% | 0.088 | 47% | 0.471 | C | S | . | . | trans | -79.4 | 157 | 178.4 | -33.1 | 0 | 0 | 0 | 0 | 111.5 | C254 M265 V266 | C242-C254 HydrophobicContact CB-CB 3.82Å; C242-C254 WeakPolarHBondContact CB-SG 3.38Å; C242-C254 WeakPolarHBondContact SG-CA 3.47Å; C242-C254 WeakPolarHBondContact SG-CB 2.95Å; C242-C254 CovalentContact SG-SG 2.01Å; C242-C254 PolarHBondContact SG-SG 3.33Å; C242-M265 HydrophobicContact CB-CB 3.89Å; C242-M265 PolarHBondContact N-O 2.85Å; C242-M265 VanDerWaalsContact SG-C 3.53Å; C242-V266 PolarHBondContact SG-N 2.89Å; C242-V266 VanDerWaalsContact SG-N 3.44Å; C242-V266 PolarHBondContact SG-O 3.33Å; C242-V266 VanDerWaalsContact SG-O 3.34Å | ||
| 243 | N | 77.3 | Confident | 79.8 | Confident | 52 Ų | 52 | 78.4 Ų | 78.4 | 28% | 0.278 | 47% | 0.468 | S | S | . | . | trans | -77.1 | 173.3 | 164.9 | 71.2 | 8.4 | 0 | 0 | 0 | 111.4 | N245 Y246 Q247 | N243-N245 PolarHBondContact O-N 3.49Å; N243-N245 VanDerWaalsContact OD1-C 3.3Å; N243-N245 WeakPolarHBondContact OD1-CA 3.41Å; N243-N245 WeakPolarHBondContact OD1-CB 3.38Å; N243-N245 PolarHBondContact OD1-N 3.48Å; N243-Y246 PolarHBondContact O-N 3.32Å; N243-Y246 PolarHBondContact OD1-N 2.86Å; N243-Q247 PolarHBondContact N-O 2.95Å; N243-Q247 PolarHBondContact OD1-N 2.77Å | ||
| 244 | Q | 77.4 | Confident | 80 | Confident | 151 Ų | 151 | 78.3 Ų | 78.3 | 71% | 0.706 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -14.6 | 177.1 | -66.4 | -178.9 | 0.7 | 0 | 0 | 114 | ||
| 245 | N | 80.5 | Confident | 80.4 | Confident | 112 Ų | 112 | 75 Ų | 75 | 60% | 0.599 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 12.6 | 177.2 | -62.3 | -39.5 | 0 | 0 | 0 | 112.8 | N243 Q247 | N243-N245 PolarHBondContact O-N 3.49Å; N243-N245 VanDerWaalsContact OD1-C 3.3Å; N243-N245 WeakPolarHBondContact OD1-CA 3.41Å; N243-N245 WeakPolarHBondContact OD1-CB 3.38Å; N243-N245 PolarHBondContact OD1-N 3.48Å; N245-Q247 PolarHBondContact O-N 3.15Å |
| 246 | Y | 83.6 | Confident | 80.8 | Confident | 133 Ų | 133 | 75 Ų | 75 | 52% | 0.522 | 43% | 0.428 | S | S | . | . | trans | 58.5 | 26.5 | -178.4 | -52.8 | -83.6 | 0 | 0 | 0 | 114.4 | N243 C254 V256 M265 | N243-Y246 PolarHBondContact O-N 3.32Å; N243-Y246 PolarHBondContact OD1-N 2.86Å; Y246-C254 VanDerWaalsContact O-CB 3.31Å; Y246-C254 WeakPolarHBondContact O-CB 2.95Å; Y246-V256 HydrophobicContact CD1-CG2 3.8Å; Y246-V256 HydrophobicContact CE1-CG2 3.47Å; Y246-V256 VanDerWaalsContact CE1-CG2 3.47Å; Y246-M265 HydrophobicContact CD1-SD 4.11Å; Y246-M265 HydrophobicContact CE1-CG 4.46Å; Y246-M265 HydrophobicContact CE1-SD 3.73Å | ||
| 247 | Q | 76.8 | Confident | 80.6 | Confident | 127 Ų | 127 | 75.3 Ų | 75.3 | 59% | 0.593 | 43% | 0.431 | S | S | * | . | trans | -95.5 | 140.3 | 178.4 | -74.1 | 160 | 13.4 | 0 | 0 | 111.4 | N243 N245 | N243-Q247 PolarHBondContact N-O 2.95Å; N243-Q247 PolarHBondContact OD1-N 2.77Å; N245-Q247 PolarHBondContact O-N 3.15Å | ||
| 248 | C | 82 | Confident | 79.9 | Confident | 26 Ų | 26 | 78 Ų | 78 | 18% | 0.176 | 44% | 0.438 | C | S | . | . | trans | -133.8 | 151.2 | 178.4 | -67.9 | 0 | 0 | 0 | 0 | 110.3 | S252 C267 | C248-S252 WeakPolarHBondContact CB-OG 3.39Å; C248-C267 VanDerWaalsContact CA-SG 3.58Å; C248-C267 HydrophobicContact CB-CB 3.62Å; C248-C267 WeakPolarHBondContact CB-SG 3.23Å; C248-C267 WeakPolarHBondContact SG-CA 3.21Å; C248-C267 WeakPolarHBondContact SG-CB 3.21Å; C248-C267 CovalentContact SG-SG 2.03Å; C248-C267 PolarHBondContact SG-SG 3.19Å | ||
| 249 | P | 78.9 | Confident | 79.1 | Confident | 95 Ų | 95 | 76 Ų | 76 | 62% | 0.617 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -69.8 | 142.5 | -176.5 | 26.7 | -33.4 | 0 | 0 | 0 | 112.5 | I239 S252 | I239-P249 HydrophobicContact CD1-CG 4.46Å; P249-S252 PolarHBondContact O-N 2.87Å; P249-S252 PolarHBondContact O-OG 3Å |
| 250 | G | 80.5 | Confident | 78 | Confident | 80 Ų | 80 | 76.6 Ų | 76.6 | 83% | 0.825 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | -130.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 251 | Q | 80.4 | Confident | 77 | Confident | 141 Ų | 141 | 78.7 Ų | 78.7 | 66% | 0.659 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 18 | -179.5 | -58.6 | -165.3 | 8.2 | 0 | 0 | 113.6 | Y269 | Q251-Y269 HydrophobicContact CB-CE2 4.15Š|
| 252 | S | 86.1 | Confident | 75.8 | Confident | 14 Ų | 14 | 83.1 Ų | 83.1 | 10% | 0.098 | 48% | 0.484 | C | S | . | . | trans | -79.8 | 153.7 | 177.3 | 56.8 | 0 | 0 | 0 | 0 | 111.4 | I239 C248 P249 C268 | I239-S252 VanDerWaalsContact CD1-CB 3.42Å; I239-S252 WeakPolarHBondContact CD1-OG 3.34Å; C248-S252 WeakPolarHBondContact CB-OG 3.39Å; P249-S252 PolarHBondContact O-N 2.87Å; P249-S252 PolarHBondContact O-OG 3Å; S252-C268 CarbonylContact C-O 3.48Å; S252-C268 WeakPolarHBondContact CA-O 3Å; S252-C268 WeakPolarHBondContact CB-O 3.23Å | ||
| 253 | V | 84.2 | Confident | 75.2 | Confident | 82 Ų | 82 | 88.9 Ų | 88.9 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 134.6 | -179 | -177.4 | 0 | 0 | 0 | 0 | 108.3 | Q255 C268 | V253-Q255 PolarHBondContact O-N 2.03Å; V253-C268 PolarHBondContact N-O 3.13Å; V253-C268 PolarHBondContact O-N 3.23Å |
| 254 | C | 84 | Confident | 75.1 | Confident | 23 Ų | 23 | 87.6 Ų | 87.6 | 16% | 0.155 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 120.8 | 173.5 | -173.8 | 0 | 0 | 0 | 0 | 110.7 | C242 Y246 V266 | C242-C254 HydrophobicContact CB-CB 3.82Å; C242-C254 WeakPolarHBondContact CB-SG 3.38Å; C242-C254 WeakPolarHBondContact SG-CA 3.47Å; C242-C254 WeakPolarHBondContact SG-CB 2.95Å; C242-C254 CovalentContact SG-SG 2.01Å; C242-C254 PolarHBondContact SG-SG 3.33Å; Y246-C254 VanDerWaalsContact O-CB 3.31Å; Y246-C254 WeakPolarHBondContact O-CB 2.95Å; C254-V266 WeakPolarHBondContact CA-O 3.05Å |
| 255 | Q | 83.1 | Confident | 75.3 | Confident | 50 Ų | 50 | 82.9 Ų | 82.9 | 23% | 0.234 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 132.4 | 169.4 | -70.8 | -169.2 | -30.2 | 0 | 0 | 109.8 | V253 M265 V266 C268 | V253-Q255 PolarHBondContact O-N 2.03Å; Q255-M265 WeakPolarHBondContact O-CA 3.1Å; Q255-V266 HydrophobicContact CB-CG2 4.26Å; Q255-V266 PolarHBondContact N-O 2.87Å; Q255-V266 PolarHBondContact O-N 2.87Å; Q255-C268 HydrophobicContact CG-CB 4.28Å; Q255-C268 PolarHBondContact OE1-SG 3.05Å |
| 256 | V | 79.9 | Confident | 75.6 | Confident | 77 Ų | 77 | 78 Ų | 78 | 47% | 0.467 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 123 | 177.8 | -166.2 | 0 | 0 | 0 | 0 | 108.2 | Y246 C264 M265 | Y246-V256 HydrophobicContact CD1-CG2 3.8Å; Y246-V256 HydrophobicContact CE1-CG2 3.47Å; Y246-V256 VanDerWaalsContact CE1-CG2 3.47Å; V256-C264 CarbonylContact C-O 3.56Å; V256-C264 WeakPolarHBondContact CA-O 3.49Å; V256-M265 HydrophobicContact CG1-CG 4.14Å; V256-M265 HydrophobicContact CG2-CG 4.27Å |
| 257 | G | 73.4 | Confident | 75.7 | Confident | 29 Ų | 29 | 71.7 Ų | 71.7 | 30% | 0.299 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 170.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | C264 | G257-C264 VanDerWaalsContact CA-SG 3.59Å; G257-C264 PolarHBondContact N-O 2.94Å; G257-C264 PolarHBondContact O-N 2.78Å; G257-C264 PolarHBondContact O-SG 3.34Å; G257-C264 VanDerWaalsContact O-SG 3.36Å |
| 258 | Q | 64.9 | Low | 76.1 | Confident | 154 Ų | 154 | 65.6 Ų | 65.6 | 72% | 0.72 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 126.8 | 167.8 | -83 | -179.1 | -8.4 | 0 | 0 | 108.8 | Q263 | Q258-Q263 HydrophobicContact CG-CG 4.38Å |
| 259 | N | 62.7 | Low | 76.3 | Confident | 54 Ų | 54 | 68.7 Ų | 68.7 | 29% | 0.289 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 123.8 | 169.6 | -163.2 | -73.4 | 0 | 0 | 0 | 109.4 | Q230 G261 Q262 | Q230-N259 WeakPolarHBondContact CB-ND2 3.35Å; Q230-N259 PolarHBondContact O-ND2 3.09Å; N259-G261 PolarHBondContact O-N 2.85Å; N259-G261 VanDerWaalsContact O-N 3.08Å; N259-Q262 PolarHBondContact N-O 2.89Å; N259-Q262 PolarHBondContact O-N 2.03Å |
| 260 | A | 56.6 | Low | 76.5 | Confident | 101 Ų | 101 | 67.4 Ų | 67.4 | 84% | 0.835 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 36.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q262 | A260-Q262 VanDerWaalsContact C-N 3.31Å; A260-Q262 PolarHBondContact O-N 2.8Å |
| 261 | G | 59.9 | Low | 76 | Confident | 74 Ų | 74 | 74.4 Ų | 74.4 | 76% | 0.763 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | -1.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | N259 | N259-G261 PolarHBondContact O-N 2.85Å; N259-G261 VanDerWaalsContact O-N 3.08Å |
| 262 | Q | 58.9 | Low | 75.2 | Confident | 158 Ų | 158 | 76.2 Ų | 76.2 | 74% | 0.738 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 132.6 | 170.7 | -64.2 | -156.4 | -14 | 0 | 0 | 111.2 | N259 A260 | N259-Q262 PolarHBondContact N-O 2.89Å; N259-Q262 PolarHBondContact O-N 2.03Å; A260-Q262 VanDerWaalsContact C-N 3.31Å; A260-Q262 PolarHBondContact O-N 2.8Å |
| 263 | Q | 67.3 | Low | 73.7 | Confident | 133 Ų | 133 | 85.3 Ų | 85.3 | 62% | 0.621 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 129.1 | 174.8 | -68.6 | -179.5 | -19 | 0 | 0 | 109.3 | Q258 | Q258-Q263 HydrophobicContact CG-CG 4.38Å |
| 264 | C | 75.2 | Confident | 71.9 | Confident | 26 Ų | 26 | 86 Ų | 86 | 18% | 0.176 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 140.9 | 175.9 | 63.8 | 0 | 0 | 0 | 0 | 110 | C231 V256 G257 | C231-C264 HydrophobicContact CB-CB 3.64Å; C231-C264 WeakPolarHBondContact CB-SG 3.28Å; C231-C264 WeakPolarHBondContact SG-CB 3.48Å; C231-C264 CovalentContact SG-SG 1.99Å; C231-C264 PolarHBondContact SG-SG 3.1Å; V256-C264 CarbonylContact C-O 3.56Å; V256-C264 WeakPolarHBondContact CA-O 3.49Å; G257-C264 VanDerWaalsContact CA-SG 3.59Å; G257-C264 PolarHBondContact N-O 2.94Å; G257-C264 PolarHBondContact O-N 2.78Å; G257-C264 PolarHBondContact O-SG 3.34Å; G257-C264 VanDerWaalsContact O-SG 3.36Å |
| 265 | M | 82.3 | Confident | 70.3 | Confident | 52 Ų | 52 | 95.5 Ų | 95.5 | 26% | 0.256 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 113.7 | -177.2 | -68.1 | 178.8 | -90.4 | 0 | 0 | 109 | S241 C242 Y246 Q255 V256 | S241-M265 WeakPolarHBondContact CA-O 3.02Å; S241-M265 WeakPolarHBondContact CB-O 2.98Å; C242-M265 HydrophobicContact CB-CB 3.89Å; C242-M265 PolarHBondContact N-O 2.85Å; C242-M265 VanDerWaalsContact SG-C 3.53Å; Y246-M265 HydrophobicContact CD1-SD 4.11Å; Y246-M265 HydrophobicContact CE1-CG 4.46Å; Y246-M265 HydrophobicContact CE1-SD 3.73Å; Q255-M265 WeakPolarHBondContact O-CA 3.1Å; V256-M265 HydrophobicContact CG1-CG 4.14Å; V256-M265 HydrophobicContact CG2-CG 4.27Å |
| 266 | V | 86.4 | Confident | 68.7 | Low | 8 Ų | 8 | 104.8 Ų | 104.8 | 5% | 0.048 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 139.5 | -175 | -66.3 | 0 | 0 | 0 | 0 | 112 | C231 Q238 C242 C254 Q255 | C231-V266 HydrophobicContact CB-CG1 4.07Å; Q238-V266 HydrophobicContact CG-CB 4.42Å; C242-V266 PolarHBondContact SG-N 2.89Å; C242-V266 VanDerWaalsContact SG-N 3.44Å; C242-V266 PolarHBondContact SG-O 3.33Å; C242-V266 VanDerWaalsContact SG-O 3.34Å; C254-V266 WeakPolarHBondContact CA-O 3.05Å; Q255-V266 HydrophobicContact CB-CG2 4.26Å; Q255-V266 PolarHBondContact N-O 2.87Å; Q255-V266 PolarHBondContact O-N 2.87Å |
| 267 | C | 85.8 | Confident | 66.9 | Low | 1 Ų | 1 | 113.6 Ų | 113.6 | 1% | 0.007 | 55% | 0.554 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.9 | 118 | 176.5 | -66.7 | 0 | 0 | 0 | 0 | 110.3 | I239 G240 S241 C248 | I239-C267 HydrophobicContact CG1-CB 3.94Å; I239-C267 WeakPolarHBondContact CG1-O 3.46Å; I239-C267 PolarHBondContact N-O 3.41Å; G240-C267 PolarHBondContact O-N 3.13Å; S241-C267 PolarHBondContact O-SG 3.49Å; S241-C267 VanDerWaalsContact O-SG 3.41Å; C248-C267 VanDerWaalsContact CA-SG 3.58Å; C248-C267 HydrophobicContact CB-CB 3.62Å; C248-C267 WeakPolarHBondContact CB-SG 3.23Å; C248-C267 WeakPolarHBondContact SG-CA 3.21Å; C248-C267 WeakPolarHBondContact SG-CB 3.21Å; C248-C267 CovalentContact SG-SG 2.03Å; C248-C267 PolarHBondContact SG-SG 3.19Å |
| 268 | C | 86.3 | Confident | 66.6 | Low | 0 Ų | 0 | 117.9 Ų | 117.9 | 0% | 0 | 57% | 0.567 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.7 | 124.6 | -173.6 | -62 | 0 | 0 | 0 | 0 | 111.3 | C233 V237 S252 V253 Q255 F270 | C233-C268 WeakPolarHBondContact CA-SG 3.43Å; C233-C268 HydrophobicContact CB-CB 3.67Å; C233-C268 WeakPolarHBondContact CB-SG 3.18Å; C233-C268 WeakPolarHBondContact SG-CA 2.99Å; C233-C268 WeakPolarHBondContact SG-CB 3.34Å; C233-C268 CovalentContact SG-SG 2.02Å; C233-C268 PolarHBondContact SG-SG 3.3Å; V237-C268 WeakPolarHBondContact O-CA 2.88Å; S252-C268 CarbonylContact C-O 3.48Å; S252-C268 WeakPolarHBondContact CA-O 3Å; S252-C268 WeakPolarHBondContact CB-O 3.23Å; V253-C268 PolarHBondContact N-O 3.13Å; V253-C268 PolarHBondContact O-N 3.23Å; Q255-C268 HydrophobicContact CG-CB 4.28Å; Q255-C268 PolarHBondContact OE1-SG 3.05Å; C268-F270 HydrophobicContact CB-CD2 4.47Å; C268-F270 HydrophobicContact CB-CE2 3.63Å; C268-F270 HydrophobicContact CB-CZ 3.99Å |
| 269 | Y | 85.8 | Confident | 66.7 | Low | 90 Ų | 90 | 115.9 Ų | 115.9 | 35% | 0.353 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.7 | 127.2 | 175.2 | -177.6 | -99.5 | 0 | 0 | 0 | 110.9 | G236 V237 Q251 R271 | G236-Y269 WeakPolarHBondContact CA-O 3.26Å; V237-Y269 PolarHBondContact N-O 2.76Å; V237-Y269 PolarHBondContact O-N 2.01Å; Q251-Y269 HydrophobicContact CB-CE2 4.15Å; Y269-R271 HydrophobicContact CD1-CG 4.46Å; Y269-R271 HydrophobicContact CE1-CG 3.76Å |
| 270 | F | 82.7 | Confident | 66.9 | Low | 69 Ų | 69 | 119.4 Ų | 119.4 | 30% | 0.303 | 57% | 0.574 | S | S | . | * | trans | -113.1 | 119 | 177.8 | -62.7 | -87.8 | 0 | 0 | 0 | 109.6 | T234 G235 C268 K272 | T234-F270 VanDerWaalsContact O-CE1 3.26Å; T234-F270 WeakPolarHBondContact O-CE1 3.48Å; G235-F270 WeakPolarHBondContact O-CD1 3.45Å; G235-F270 WeakPolarHBondContact O-CE1 2.97Å; C268-F270 HydrophobicContact CB-CD2 4.47Å; C268-F270 HydrophobicContact CB-CE2 3.63Å; C268-F270 HydrophobicContact CB-CZ 3.99Å; F270-K272 PolarHBondContact O-N 3.01Å | ||
| 271 | R | 70.7 | Confident | 67.5 | Low | 226 Ų | 226 | 120.5 Ų | 120.5 | 85% | 0.853 | 56% | 0.559 | S | S | * | * | trans | -68.4 | 106.6 | 171.6 | -77.8 | -174.8 | 172.5 | -170.5 | -1.3 | 108.8 | Y269 K273 | Y269-R271 HydrophobicContact CD1-CG 4.46Å; Y269-R271 HydrophobicContact CE1-CG 3.76Å; R271-K273 PolarHBondContact O-N 3.34Å | ||
| 272 | K | 62.8 | Low | 68 | Low | 180 Ų | 180 | 123.4 Ų | 123.4 | 78% | 0.783 | 55% | 0.546 | S | S | * | . | trans | -63.6 | 120.8 | 171.5 | -74.3 | -178.4 | 177.4 | 173.4 | 0 | 108.9 | F270 A274 | F270-K272 PolarHBondContact O-N 3.01Å; K272-A274 PolarHBondContact O-N 3.29Å | ||
| 273 | K | 54.9 | Low | 68.6 | Low | 205 Ų | 205 | 121.1 Ų | 121.1 | 89% | 0.891 | 53% | 0.533 | S | S | * | . | trans | -60.7 | 121.6 | 161.7 | -96 | -179.5 | 174.6 | 177.5 | 0 | 107.5 | R271 R275 | R271-K273 PolarHBondContact O-N 3.34Å; K273-R275 PolarHBondContact O-N 2.88Å | ||
| 274 | A | 46 | Very low | 68.7 | Low | 95 Ų | 95 | 120.2 Ų | 120.2 | 79% | 0.785 | 53% | 0.527 | S | S | * | . | trans | -59.8 | 112 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109 | K272 R276 | K272-A274 PolarHBondContact O-N 3.29Å; A274-R276 PolarHBondContact O-N 3.33Å | ||
| 275 | R | 49.8 | Very low | 68.2 | Low | 223 Ų | 223 | 127.5 Ų | 127.5 | 84% | 0.842 | 55% | 0.554 | S | S | * | * | trans | -70.4 | 110.7 | 166.6 | -74.5 | -172.7 | 176.4 | -172.5 | -0.9 | 106.6 | K273 F277 | K273-R275 PolarHBondContact O-N 2.88Å; R275-F277 PolarHBondContact O-N 3.27Å | ||
| 276 | R | 50 | Low | 67 | Low | 246 Ų | 246 | 133.8 Ų | 133.8 | 93% | 0.928 | 58% | 0.578 | S | S | * | * | trans | -70.5 | 116.6 | 165.1 | -67.4 | -171.8 | -171 | -176.3 | 3.2 | 106.7 | A274 | A274-R276 PolarHBondContact O-N 3.33Š| ||
| 277 | F | 43.4 | Very low | 65.3 | Low | 262 Ų | 262 | 145.2 Ų | 145.2 | 100% | 1.149 | 63% | 0.627 | S | S | * | * | trans | -83.1 | 0 | 159.6 | -80.7 | -82.9 | 0 | 0 | 0 | 108.6 | R275 | R275-F277 PolarHBondContact O-N 3.27Š|
Retrieved 277 of 277 residues in 112.3 ms
(Link to these results)